2-(cyclopentylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide

C15H19N3OS — CID 60848317

IUPAC2-(cyclopentylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
SMILESCc1nc2ccc(NC(=O)CNC3CCCC3)cc2s1
InChIInChI=1S/C15H19N3OS/c1-10-17-13-7-6-12(8-14(13)20-10)18-15(19)9-16-11-4-2-3-5-11/h6-8,11,16H,2-5,9H2,1H3,(H,18,19)
InChIKeyYQCLFBIQUUDNMK-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.08
Rot. Bonds4

About 2-(cyclopentylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide

2-(cyclopentylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide (PubChem CID 60848317) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
PubChem CID60848317
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-(cyclopentylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
SMILESCc1nc2ccc(NC(=O)CNC3CCCC3)cc2s1
InChIInChI=1S/C15H19N3OS/c1-10-17-13-7-6-12(8-14(13)20-10)18-15(19)9-16-11-4-2-3-5-11/h6-8,11,16H,2-5,9H2,1H3,(H,18,19)
InChIKeyYQCLFBIQUUDNMK-UHFFFAOYSA-N
XLogP3.08
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide
CID 18152915
2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 60651842
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 31529238
2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 64617382
N-(2-methyl-1,3-benzothiazol-6-yl)-2-(oxetan-3-yl)acetamide
CID 112523804
2-(1-aminocyclopentyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 64685410
4-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide
CID 79193199
N-(3-acetamido-4-methylphenyl)-2-(cyclopentylamino)acetamide
CID 60851393
N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 43702522
4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674363
4-amino-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide;hydrochloride
CID 119264601
trans-(1S,2S)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 7742031

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The IUPAC name of 2-(cyclopentylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide (CID 60848317) is 2-(cyclopentylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide.
What is the SMILES notation for 2-(cyclopentylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The canonical SMILES for 2-(cyclopentylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide is Cc1nc2ccc(NC(=O)CNC3CCCC3)cc2s1.
What is the InChIKey of 2-(cyclopentylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The InChIKey is YQCLFBIQUUDNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10-17-13-7-6-12(8-14(13)20-10)18-15(19)9-16-11-4-2-3-5-11/h6-8,11,16H,2-5,9H2,1H3,(H,18,19).
What are the key properties of 2-(cyclopentylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
2-(cyclopentylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide has a molecular weight of 289.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide is sourced from PubChem (CID 60848317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).