2-(cyclopentylamino)-N,N-dimethyl-1,3-benzothiazole-6-carboxamide

C15H19N3OS — CID 154653472

IUPAC2-(cyclopentylamino)-N,N-dimethyl-1,3-benzothiazole-6-carboxamide
SMILESCN(C)C(=O)c1ccc2nc(NC3CCCC3)sc2c1
InChIInChI=1S/C15H19N3OS/c1-18(2)14(19)10-7-8-12-13(9-10)20-15(17-12)16-11-5-3-4-6-11/h7-9,11H,3-6H2,1-2H3,(H,16,17)
InChIKeyMOUDUWABXFQODY-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.35
Rot. Bonds3

About 2-(cyclopentylamino)-N,N-dimethyl-1,3-benzothiazole-6-carboxamide

2-(cyclopentylamino)-N,N-dimethyl-1,3-benzothiazole-6-carboxamide (PubChem CID 154653472) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N,N-dimethyl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-N,N-dimethyl-1,3-benzothiazole-6-carboxamide
PubChem CID154653472
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-(cyclopentylamino)-N,N-dimethyl-1,3-benzothiazole-6-carboxamide
SMILESCN(C)C(=O)c1ccc2nc(NC3CCCC3)sc2c1
InChIInChI=1S/C15H19N3OS/c1-18(2)14(19)10-7-8-12-13(9-10)20-15(17-12)16-11-5-3-4-6-11/h7-9,11H,3-6H2,1-2H3,(H,16,17)
InChIKeyMOUDUWABXFQODY-UHFFFAOYSA-N
XLogP3.35
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[[2-(cyclohexylamino)-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]-4-fluoro-N,N-dimethylbenzamide
CID 89325768
propyl 2-(cyclopentylamino)-1,3-benzothiazole-6-carboxylate
CID 82549744
2-methylpropyl 2-(cyclohexylamino)-1,3-benzothiazole-6-carboxylate
CID 82549738
2-[[(1R,2R,4R)-4-[(5-chloropyrimidin-2-yl)amino]-2-hydroxycyclopentyl]amino]-N,N-dimethyl-1,3-benzothiazole-6-carboxamide
CID 170722719
N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine
CID 78908885
N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908893
(8aR)-7-[2-(cyclopentylamino)-1,3-benzothiazole-6-carbonyl]-8a-methyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 155005877
6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 79525447
3-(cyclohexylamino)-N,N-dimethylbenzamide
CID 43725453
N-benzyl-2-[(4-hydroxycyclohexyl)amino]-1,3-benzothiazole-6-carboxamide
CID 117091557
methyl 2-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-1,3-benzothiazole-6-carboxylate
CID 138048072
N-cyclopentyl-6-fluoro-1,3-benzothiazol-2-amine;2,6-difluorobenzamide
CID 144829885

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-N,N-dimethyl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-(cyclopentylamino)-N,N-dimethyl-1,3-benzothiazole-6-carboxamide (CID 154653472) is 2-(cyclopentylamino)-N,N-dimethyl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-(cyclopentylamino)-N,N-dimethyl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-(cyclopentylamino)-N,N-dimethyl-1,3-benzothiazole-6-carboxamide is CN(C)C(=O)c1ccc2nc(NC3CCCC3)sc2c1.
What is the InChIKey of 2-(cyclopentylamino)-N,N-dimethyl-1,3-benzothiazole-6-carboxamide?
The InChIKey is MOUDUWABXFQODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-18(2)14(19)10-7-8-12-13(9-10)20-15(17-12)16-11-5-3-4-6-11/h7-9,11H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 2-(cyclopentylamino)-N,N-dimethyl-1,3-benzothiazole-6-carboxamide?
2-(cyclopentylamino)-N,N-dimethyl-1,3-benzothiazole-6-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-N,N-dimethyl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 154653472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).