1-amino-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide

C15H17N3OS — CID 119685811

IUPAC1-amino-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)C3(N)CC3)n2)c(C)c1
InChIInChI=1S/C15H17N3OS/c1-9-3-4-11(10(2)7-9)12-8-20-14(17-12)18-13(19)15(16)5-6-15/h3-4,7-8H,5-6,16H2,1-2H3,(H,17,18,19)
InChIKeyAKXBKRXQIZEUAF-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.86
Rot. Bonds3

About 1-amino-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide

1-amino-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide (PubChem CID 119685811) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-amino-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
PubChem CID119685811
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name1-amino-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)C3(N)CC3)n2)c(C)c1
InChIInChI=1S/C15H17N3OS/c1-9-3-4-11(10(2)7-9)12-8-20-14(17-12)18-13(19)15(16)5-6-15/h3-4,7-8H,5-6,16H2,1-2H3,(H,17,18,19)
InChIKeyAKXBKRXQIZEUAF-UHFFFAOYSA-N
XLogP2.86
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119273536
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
CID 3627689
trans-(1S,2S)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 40820828
trans-(1R,2R)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 40820829
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 25259755
(1R,6R)-6-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1294705
4-(2,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 17465165
2,6-dichloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4517277
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-1-aminocyclohexane-1-carboxamide
CID 119275665
1-amino-N-(2,4-dimethylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119670578
(1S,2S,3R,4S)-3-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98288443
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 35875919

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide (CID 119685811) is 1-amino-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide is Cc1ccc(-c2csc(NC(=O)C3(N)CC3)n2)c(C)c1.
What is the InChIKey of 1-amino-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?
The InChIKey is AKXBKRXQIZEUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-9-3-4-11(10(2)7-9)12-8-20-14(17-12)18-13(19)15(16)5-6-15/h3-4,7-8H,5-6,16H2,1-2H3,(H,17,18,19).
What are the key properties of 1-amino-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?
1-amino-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide has a molecular weight of 287.39 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119685811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).