1-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide

C14H17N3OS2 — CID 60866672

IUPAC1-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide
SMILESCSc1nc2ccc(NC(=O)C3(N)CCCC3)cc2s1
InChIInChI=1S/C14H17N3OS2/c1-19-13-17-10-5-4-9(8-11(10)20-13)16-12(18)14(15)6-2-3-7-14/h4-5,8H,2-3,6-7,15H2,1H3,(H,16,18)
InChIKeyNSSHNHUHLLMMMF-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.23
Rot. Bonds3

About 1-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide

1-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide (PubChem CID 60866672) has the molecular formula C14H17N3OS2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide
PubChem CID60866672
Molecular FormulaC14H17N3OS2
Molecular Weight307.44 g/mol
Exact Mass307.08
IUPAC Name1-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide
SMILESCSc1nc2ccc(NC(=O)C3(N)CCCC3)cc2s1
InChIInChI=1S/C14H17N3OS2/c1-19-13-17-10-5-4-9(8-11(10)20-13)16-12(18)14(15)6-2-3-7-14/h4-5,8H,2-3,6-7,15H2,1H3,(H,16,18)
InChIKeyNSSHNHUHLLMMMF-UHFFFAOYSA-N
XLogP3.23
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide
CID 43702585
3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide
CID 63130297
1-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide
CID 119839211
1-amino-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 119753611
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
CID 672510
3-amino-2,2,3-trimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)butanamide
CID 65264454
1-(4-methoxyphenyl)-3-(2-methylsulfanyl-1,3-benzothiazol-6-yl)urea
CID 2381206
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide
CID 959118
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 23965445
2-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide
CID 64822745
ethyl 4-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-4-oxobutanoate
CID 26850848
trans-(1R,2R)-2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 94848507

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide (CID 60866672) is 1-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide is CSc1nc2ccc(NC(=O)C3(N)CCCC3)cc2s1.
What is the InChIKey of 1-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide?
The InChIKey is NSSHNHUHLLMMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS2/c1-19-13-17-10-5-4-9(8-11(10)20-13)16-12(18)14(15)6-2-3-7-14/h4-5,8H,2-3,6-7,15H2,1H3,(H,16,18).
What are the key properties of 1-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide?
1-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 60866672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).