6-chloro-2-(2,3-dihydro-1H-indol-3-ylmethyl)-1,3-benzothiazole

C16H13ClN2S — CID 80575661

IUPAC6-chloro-2-(2,3-dihydro-1H-indol-3-ylmethyl)-1,3-benzothiazole
SMILESClc1ccc2nc(CC3CNc4ccccc43)sc2c1
InChIInChI=1S/C16H13ClN2S/c17-11-5-6-14-15(8-11)20-16(19-14)7-10-9-18-13-4-2-1-3-12(10)13/h1-6,8,10,18H,7,9H2
InChIKeyQYXMLMBJRZAELK-UHFFFAOYSA-N
MW300.81 g/mol
LogP4.70
Rot. Bonds2

About 6-chloro-2-(2,3-dihydro-1H-indol-3-ylmethyl)-1,3-benzothiazole

6-chloro-2-(2,3-dihydro-1H-indol-3-ylmethyl)-1,3-benzothiazole (PubChem CID 80575661) has the molecular formula C16H13ClN2S and a molecular weight of 300.81 g/mol. Its IUPAC name is 6-chloro-2-(2,3-dihydro-1H-indol-3-ylmethyl)-1,3-benzothiazole.

Molecular Properties

Compound Name6-chloro-2-(2,3-dihydro-1H-indol-3-ylmethyl)-1,3-benzothiazole
PubChem CID80575661
Molecular FormulaC16H13ClN2S
Molecular Weight300.81 g/mol
Exact Mass300.05
IUPAC Name6-chloro-2-(2,3-dihydro-1H-indol-3-ylmethyl)-1,3-benzothiazole
SMILESClc1ccc2nc(CC3CNc4ccccc43)sc2c1
InChIInChI=1S/C16H13ClN2S/c17-11-5-6-14-15(8-11)20-16(19-14)7-10-9-18-13-4-2-1-3-12(10)13/h1-6,8,10,18H,7,9H2
InChIKeyQYXMLMBJRZAELK-UHFFFAOYSA-N
XLogP4.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(2,3-dihydro-1H-indol-3-ylmethyl)-1-methylbenzimidazole
CID 80572125
2-[(6-chloro-1,3-benzothiazol-2-yl)methyl]phenol
CID 80740820
3-[(3-propyl-1H-1,2,4-triazol-5-yl)methyl]-2,3-dihydro-1H-indole
CID 80577114
N-[(6-chloro-1,3-benzothiazol-2-yl)methyl]-1-cyclopropylmethanamine
CID 79528103
6-chloro-2-(2,3-dihydro-1H-indol-3-yl)-1-methylbenzimidazole
CID 115472337
N-[(6-chloro-1,3-benzothiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 79528460
1,5-bis(6-chloro-1,3-benzothiazol-2-yl)pentan-3-one
CID 174833116
(6-chloro-1,3-benzothiazol-2-yl)methylphosphonic acid
CID 122438694
1-amino-3-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-ol
CID 79528548
1-(3-chlorophenyl)-N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylethanamine
CID 80567011
2-bromo-6-chloro-1,3-benzothiazole
CID 11499762
N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 74768088

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2,3-dihydro-1H-indol-3-ylmethyl)-1,3-benzothiazole?
The IUPAC name of 6-chloro-2-(2,3-dihydro-1H-indol-3-ylmethyl)-1,3-benzothiazole (CID 80575661) is 6-chloro-2-(2,3-dihydro-1H-indol-3-ylmethyl)-1,3-benzothiazole.
What is the SMILES notation for 6-chloro-2-(2,3-dihydro-1H-indol-3-ylmethyl)-1,3-benzothiazole?
The canonical SMILES for 6-chloro-2-(2,3-dihydro-1H-indol-3-ylmethyl)-1,3-benzothiazole is Clc1ccc2nc(CC3CNc4ccccc43)sc2c1.
What is the InChIKey of 6-chloro-2-(2,3-dihydro-1H-indol-3-ylmethyl)-1,3-benzothiazole?
The InChIKey is QYXMLMBJRZAELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2S/c17-11-5-6-14-15(8-11)20-16(19-14)7-10-9-18-13-4-2-1-3-12(10)13/h1-6,8,10,18H,7,9H2.
What are the key properties of 6-chloro-2-(2,3-dihydro-1H-indol-3-ylmethyl)-1,3-benzothiazole?
6-chloro-2-(2,3-dihydro-1H-indol-3-ylmethyl)-1,3-benzothiazole has a molecular weight of 300.81 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2,3-dihydro-1H-indol-3-ylmethyl)-1,3-benzothiazole is sourced from PubChem (CID 80575661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).