2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine — IUPAC name, SMILES, InChIKey & properties

Name: 2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine

2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine (PubChem CID 158027548) has the molecular formula C90H108Cl5N13S2 and a molecular weight of 1613.34 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name	2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine
PubChem CID	158027548
Molecular Formula	C90H108Cl5N13S2
Molecular Weight	1613.34 g/mol
Exact Mass	1609.67
IUPAC Name	2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine
SMILES	CC(C)(C)c1cc2cnccc2[nH]1.CC(C)(C)c1cc2ncccc2[nH]1.CC(C)(C)c1ccc2ncc(Cl)n2c1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1cnc2c(c1)C(Cl)=CC2.CC(C)(C)c1nc2c(Cl)cccc2s1.CC(C)(C)c1nc2cccc(Cl)c2s1.Cn1cc(Cl)c2cc(C(C)(C)C)cnc21
InChI	InChI=1S/C12H15ClN2.C12H14ClN.C11H13ClN2.2C11H12ClNS.3C11H14N2/c1-12(2,3)8-5-9-10(13)7-15(4)11(9)14-6-8;1-12(2,3)8-6-9-10(13)4-5-11(9)14-7-8;1-11(2,3)8-4-5-10-13-6-9(12)14(10)7-8;1-11(2,3)10-13-9-7(12)5-4-6-8(9)14-10;1-11(2,3)10-13-8-6-4-5-7(12)9(8)14-10;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;1-11(2,3)10-7-9-8(13-10)5-4-6-12-9/h5-7H,1-4H3;4,6-7H,5H2,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3;4-7,13H,1-3H3;4-8H,1-3H3;4-7,13H,1-3H3
InChIKey	FGTYFCDBHBILNQ-UHFFFAOYSA-N
XLogP	27.17
TPSA	148.45 Å²
H-Bond Donors	2
H-Bond Acceptors	13
Rotatable Bonds
Heavy Atoms	110
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1613.34
LogP ≤ 5	27.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Analyze 2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine?

The IUPAC name of 2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine (CID 158027548) is 2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine.

What is the SMILES notation for 2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine?

The canonical SMILES for 2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine is CC(C)(C)c1cc2cnccc2[nH]1.CC(C)(C)c1cc2ncccc2[nH]1.CC(C)(C)c1ccc2ncc(Cl)n2c1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1cnc2c(c1)C(Cl)=CC2.CC(C)(C)c1nc2c(Cl)cccc2s1.CC(C)(C)c1nc2cccc(Cl)c2s1.Cn1cc(Cl)c2cc(C(C)(C)C)cnc21.

What is the InChIKey of 2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine?

The InChIKey is FGTYFCDBHBILNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2.C12H14ClN.C11H13ClN2.2C11H12ClNS.3C11H14N2/c1-12(2,3)8-5-9-10(13)7-15(4)11(9)14-6-8;1-12(2,3)8-6-9-10(13)4-5-11(9)14-7-8;1-11(2,3)8-4-5-10-13-6-9(12)14(10)7-8;1-11(2,3)10-13-9-7(12)5-4-6-8(9)14-10;1-11(2,3)10-13-8-6-4-5-7(12)9(8)14-10;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;1-11(2,3)10-7-9-8(13-10)5-4-6-12-9/h5-7H,1-4H3;4,6-7H,5H2,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3;4-7,13H,1-3H3;4-8H,1-3H3;4-7,13H,1-3H3.

What are the key properties of 2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine?

Where does this data come from?

All data for 2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 158027548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).