2-anilino-N-cyclopropyl-1,3-thiazole-4-carboxamide

C13H13N3OS — CID 30860157

IUPAC2-anilino-N-cyclopropyl-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CC1)c1csc(Nc2ccccc2)n1
InChIInChI=1S/C13H13N3OS/c17-12(14-10-6-7-10)11-8-18-13(16-11)15-9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,14,17)(H,15,16)
InChIKeyIWSOKBNLAXYISO-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.78
Rot. Bonds4

About 2-anilino-N-cyclopropyl-1,3-thiazole-4-carboxamide

2-anilino-N-cyclopropyl-1,3-thiazole-4-carboxamide (PubChem CID 30860157) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-anilino-N-cyclopropyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-anilino-N-cyclopropyl-1,3-thiazole-4-carboxamide
PubChem CID30860157
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name2-anilino-N-cyclopropyl-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CC1)c1csc(Nc2ccccc2)n1
InChIInChI=1S/C13H13N3OS/c17-12(14-10-6-7-10)11-8-18-13(16-11)15-9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,14,17)(H,15,16)
InChIKeyIWSOKBNLAXYISO-UHFFFAOYSA-N
XLogP2.78
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955471
N-cycloheptyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509772
2-[(2-anilino-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 42813690
N-(4-hydroxycyclohexyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 78810994
3-[(2-anilino-1,3-thiazole-4-carbonyl)-cyclopropylamino]propanoic acid
CID 42795963
1-(2-anilino-1,3-thiazol-4-yl)propan-1-one
CID 58966318
N-cycloheptyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948468
4-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229160
2-anilino-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 117085099
N-cyclopropyl-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 110647283
N-(1-benzylpiperidin-4-yl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 52907438
ethyl 2-anilino-1,3-thiazole-4-carboxylate
CID 15053537

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-cyclopropyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-anilino-N-cyclopropyl-1,3-thiazole-4-carboxamide (CID 30860157) is 2-anilino-N-cyclopropyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-anilino-N-cyclopropyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-anilino-N-cyclopropyl-1,3-thiazole-4-carboxamide is O=C(NC1CC1)c1csc(Nc2ccccc2)n1.
What is the InChIKey of 2-anilino-N-cyclopropyl-1,3-thiazole-4-carboxamide?
The InChIKey is IWSOKBNLAXYISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c17-12(14-10-6-7-10)11-8-18-13(16-11)15-9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,14,17)(H,15,16).
What are the key properties of 2-anilino-N-cyclopropyl-1,3-thiazole-4-carboxamide?
2-anilino-N-cyclopropyl-1,3-thiazole-4-carboxamide has a molecular weight of 259.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-cyclopropyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 30860157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).