2-chloro-N-cyclopentyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide

C19H20ClN3OS — CID 100787805

IUPAC2-chloro-N-cyclopentyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
SMILESCn1cccc1CN(C(=O)c1ccc2nc(Cl)sc2c1)C1CCCC1
InChIInChI=1S/C19H20ClN3OS/c1-22-10-4-7-15(22)12-23(14-5-2-3-6-14)18(24)13-8-9-16-17(11-13)25-19(20)21-16/h4,7-11,14H,2-3,5-6,12H2,1H3
InChIKeyOKJLXRCPCSAPFV-UHFFFAOYSA-N
MW373.91 g/mol
LogP4.87
Rot. Bonds4

About 2-chloro-N-cyclopentyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide

2-chloro-N-cyclopentyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 100787805) has the molecular formula C19H20ClN3OS and a molecular weight of 373.91 g/mol. Its IUPAC name is 2-chloro-N-cyclopentyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-chloro-N-cyclopentyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
PubChem CID100787805
Molecular FormulaC19H20ClN3OS
Molecular Weight373.91 g/mol
Exact Mass373.10
IUPAC Name2-chloro-N-cyclopentyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
SMILESCn1cccc1CN(C(=O)c1ccc2nc(Cl)sc2c1)C1CCCC1
InChIInChI=1S/C19H20ClN3OS/c1-22-10-4-7-15(22)12-23(14-5-2-3-6-14)18(24)13-8-9-16-17(11-13)25-19(20)21-16/h4,7-11,14H,2-3,5-6,12H2,1H3
InChIKeyOKJLXRCPCSAPFV-UHFFFAOYSA-N
XLogP4.87
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 810006
N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-benzothiazole-2-carboxamide
CID 90495851
N-cyclohexyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 1057084
2,4-dichloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 42759766
2-chloro-N-(2-methoxyethyl)-N-[(1-propan-2-ylpyrrol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 100788132
2-chloro-N-[(1-propan-2-ylpyrrol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 100788064
3,4-dichloro-N-cyclopropyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 3663729
2-chloro-N-cyclopropyl-6-fluoro-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 90495850
N-butan-2-yl-3,4-dichloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 4579819
2-[cyclohexyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4571330
N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]furan-2-carboxamide
CID 42759774
3,4-dichloro-N-cyclohexyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 42762652

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopentyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-chloro-N-cyclopentyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide (CID 100787805) is 2-chloro-N-cyclopentyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-chloro-N-cyclopentyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-chloro-N-cyclopentyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide is Cn1cccc1CN(C(=O)c1ccc2nc(Cl)sc2c1)C1CCCC1.
What is the InChIKey of 2-chloro-N-cyclopentyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is OKJLXRCPCSAPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3OS/c1-22-10-4-7-15(22)12-23(14-5-2-3-6-14)18(24)13-8-9-16-17(11-13)25-19(20)21-16/h4,7-11,14H,2-3,5-6,12H2,1H3.
What are the key properties of 2-chloro-N-cyclopentyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide?
2-chloro-N-cyclopentyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 373.91 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopentyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 100787805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).