N-cyclopropyl-2-[(2-methylpyrazol-3-yl)amino]-1,3-benzothiazole-6-carboxamide

C15H15N5OS — CID 117081502

IUPACN-cyclopropyl-2-[(2-methylpyrazol-3-yl)amino]-1,3-benzothiazole-6-carboxamide
SMILESCn1nccc1Nc1nc2ccc(C(=O)NC3CC3)cc2s1
InChIInChI=1S/C15H15N5OS/c1-20-13(6-7-16-20)19-15-18-11-5-2-9(8-12(11)22-15)14(21)17-10-3-4-10/h2,5-8,10H,3-4H2,1H3,(H,17,21)(H,18,19)
InChIKeyHOEPMBTVYHKSCN-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.67
Rot. Bonds4

About N-cyclopropyl-2-[(2-methylpyrazol-3-yl)amino]-1,3-benzothiazole-6-carboxamide

N-cyclopropyl-2-[(2-methylpyrazol-3-yl)amino]-1,3-benzothiazole-6-carboxamide (PubChem CID 117081502) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2-methylpyrazol-3-yl)amino]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2-methylpyrazol-3-yl)amino]-1,3-benzothiazole-6-carboxamide
PubChem CID117081502
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC NameN-cyclopropyl-2-[(2-methylpyrazol-3-yl)amino]-1,3-benzothiazole-6-carboxamide
SMILESCn1nccc1Nc1nc2ccc(C(=O)NC3CC3)cc2s1
InChIInChI=1S/C15H15N5OS/c1-20-13(6-7-16-20)19-15-18-11-5-2-9(8-12(11)22-15)14(21)17-10-3-4-10/h2,5-8,10H,3-4H2,1H3,(H,17,21)(H,18,19)
InChIKeyHOEPMBTVYHKSCN-UHFFFAOYSA-N
XLogP2.67
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-methylpyrazol-3-yl)amino]-N-propyl-1,3-benzothiazole-6-carboxamide
CID 117081271
N-cyclopropyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-benzothiazole-6-carboxamide
CID 117085987
2-benzamido-N-cyclohexyl-1,3-benzothiazole-6-carboxamide
CID 4159999
4-[[2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazole-5-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 87360450
N-cyclopropyl-3-methylbenzimidazole-5-carboxamide
CID 110469101
N-cyclopentyl-2-[(4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazole-6-carboxamide
CID 164875002
N-(1-benzylpiperidin-4-yl)-2-(pyrimidin-4-ylamino)-1,3-benzothiazole-6-carboxamide
CID 117083358
tert-butyl 4-[[2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazole-5-carbonyl]amino]piperidine-1-carboxylate
CID 86656953
N-cyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 95967858
2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 90121945
2-[(4-methylcyclohexyl)carbamoylamino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 22634534
cis-(1R,3S)-3-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106322796

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2-methylpyrazol-3-yl)amino]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-cyclopropyl-2-[(2-methylpyrazol-3-yl)amino]-1,3-benzothiazole-6-carboxamide (CID 117081502) is N-cyclopropyl-2-[(2-methylpyrazol-3-yl)amino]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[(2-methylpyrazol-3-yl)amino]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[(2-methylpyrazol-3-yl)amino]-1,3-benzothiazole-6-carboxamide is Cn1nccc1Nc1nc2ccc(C(=O)NC3CC3)cc2s1.
What is the InChIKey of N-cyclopropyl-2-[(2-methylpyrazol-3-yl)amino]-1,3-benzothiazole-6-carboxamide?
The InChIKey is HOEPMBTVYHKSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-20-13(6-7-16-20)19-15-18-11-5-2-9(8-12(11)22-15)14(21)17-10-3-4-10/h2,5-8,10H,3-4H2,1H3,(H,17,21)(H,18,19).
What are the key properties of N-cyclopropyl-2-[(2-methylpyrazol-3-yl)amino]-1,3-benzothiazole-6-carboxamide?
N-cyclopropyl-2-[(2-methylpyrazol-3-yl)amino]-1,3-benzothiazole-6-carboxamide has a molecular weight of 313.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2-methylpyrazol-3-yl)amino]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 117081502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).