4-chloro-5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-thiazole;5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-thiazole

C30H29Cl3N4O2S2 — CID 171517997

IUPAC4-chloro-5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-thiazole;5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-thiazole
SMILESCC(C)c1cc2cc(Cl)c(OCc3ccns3)cc2[nH]1.CC(C)c1cc2cc(Cl)c(OCc3sncc3Cl)cc2[nH]1
InChIInChI=1S/C15H14Cl2N2OS.C15H15ClN2OS/c1-8(2)12-4-9-3-10(16)14(5-13(9)19-12)20-7-15-11(17)6-18-21-15;1-9(2)13-6-10-5-12(16)15(7-14(10)18-13)19-8-11-3-4-17-20-11/h3-6,8,19H,7H2,1-2H3;3-7,9,18H,8H2,1-2H3
InChIKeyXSLBKQQDCGTTHJ-UHFFFAOYSA-N
MW648.08 g/mol
LogP10.61
Rot. Bonds8

About 4-chloro-5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-thiazole;5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-thiazole

4-chloro-5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-thiazole;5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-thiazole (PubChem CID 171517997) has the molecular formula C30H29Cl3N4O2S2 and a molecular weight of 648.08 g/mol. Its IUPAC name is 4-chloro-5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-thiazole;5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-thiazole.

Molecular Properties

Compound Name4-chloro-5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-thiazole;5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-thiazole
PubChem CID171517997
Molecular FormulaC30H29Cl3N4O2S2
Molecular Weight648.08 g/mol
Exact Mass646.08
IUPAC Name4-chloro-5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-thiazole;5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-thiazole
SMILESCC(C)c1cc2cc(Cl)c(OCc3ccns3)cc2[nH]1.CC(C)c1cc2cc(Cl)c(OCc3sncc3Cl)cc2[nH]1
InChIInChI=1S/C15H14Cl2N2OS.C15H15ClN2OS/c1-8(2)12-4-9-3-10(16)14(5-13(9)19-12)20-7-15-11(17)6-18-21-15;1-9(2)13-6-10-5-12(16)15(7-14(10)18-13)19-8-11-3-4-17-20-11/h3-6,8,19H,7H2,1-2H3;3-7,9,18H,8H2,1-2H3
InChIKeyXSLBKQQDCGTTHJ-UHFFFAOYSA-N
XLogP10.61
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.08
LogP ≤ 510.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-chloro-5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-thiazole;5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-thiazole with MolForge

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Related Compounds

5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-2-methyl-1,3-thiazole
CID 171519213
5-chloro-2-propan-2-yl-6-(pyridin-2-ylmethoxy)-1H-indole
CID 171731967
4-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole;5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole
CID 171519301
5-chloro-6-(2-cyclopropylethoxy)-2-propan-2-yl-1H-indole
CID 171731942
5-chloro-6-(2-ethoxyethoxy)-2-propan-2-yl-1H-indole
CID 171731898
2-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]imidazo[1,2-a]pyridine
CID 171731846
5-chloro-6-(1,4-dioxan-2-ylmethoxy)-2-propan-2-yl-1H-indole
CID 171731919
5-chloro-6-[2-(oxolan-2-yl)ethoxy]-2-propan-2-yl-1H-indole
CID 171518200
6-chloro-4-methyl-7-(1,2-thiazol-5-ylmethoxy)chromen-2-one
CID 166372173
5-chloro-6-(6-cyclopropyloxy-3-pyridinyl)-2-propan-2-yl-1H-indole
CID 176926248
6-chloro-7-(cyclobutylmethoxy)-3-propan-2-yl-1H-quinolin-2-one
CID 154591424
5-chloro-6-(5-methoxy-3-pyridinyl)-2-propan-2-yl-1H-indole
CID 176925759

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-thiazole;5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-thiazole?
The IUPAC name of 4-chloro-5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-thiazole;5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-thiazole (CID 171517997) is 4-chloro-5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-thiazole;5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-thiazole.
What is the SMILES notation for 4-chloro-5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-thiazole;5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-thiazole?
The canonical SMILES for 4-chloro-5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-thiazole;5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-thiazole is CC(C)c1cc2cc(Cl)c(OCc3ccns3)cc2[nH]1.CC(C)c1cc2cc(Cl)c(OCc3sncc3Cl)cc2[nH]1.
What is the InChIKey of 4-chloro-5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-thiazole;5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-thiazole?
The InChIKey is XSLBKQQDCGTTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2OS.C15H15ClN2OS/c1-8(2)12-4-9-3-10(16)14(5-13(9)19-12)20-7-15-11(17)6-18-21-15;1-9(2)13-6-10-5-12(16)15(7-14(10)18-13)19-8-11-3-4-17-20-11/h3-6,8,19H,7H2,1-2H3;3-7,9,18H,8H2,1-2H3.
What are the key properties of 4-chloro-5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-thiazole;5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-thiazole?
4-chloro-5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-thiazole;5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-thiazole has a molecular weight of 648.08 g/mol, XLogP of 10.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-thiazole;5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-thiazole is sourced from PubChem (CID 171517997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).