N-[5-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide

C15H17N3O2S — CID 82342338

IUPACN-[5-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESCOc1ccc(-c2nc(NC(=O)C3CC3)sc2N)cc1C
InChIInChI=1S/C15H17N3O2S/c1-8-7-10(5-6-11(8)20-2)12-13(16)21-15(17-12)18-14(19)9-3-4-9/h5-7,9H,3-4,16H2,1-2H3,(H,17,18,19)
InChIKeyVMRJPSICJLOUTL-UHFFFAOYSA-N
MW303.39 g/mol
LogP3.06
Rot. Bonds4

About N-[5-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide

N-[5-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide (PubChem CID 82342338) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[5-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
PubChem CID82342338
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-[5-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESCOc1ccc(-c2nc(NC(=O)C3CC3)sc2N)cc1C
InChIInChI=1S/C15H17N3O2S/c1-8-7-10(5-6-11(8)20-2)12-13(16)21-15(17-12)18-14(19)9-3-4-9/h5-7,9H,3-4,16H2,1-2H3,(H,17,18,19)
InChIKeyVMRJPSICJLOUTL-UHFFFAOYSA-N
XLogP3.06
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 82342336
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 2150738
N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 3590296
N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108738284
2,2,2-trichloro-N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 108738227
methyl 4-amino-3-(4-methoxy-3-methylphenyl)-1,2-thiazole-5-carboxylate
CID 13073197
2-(cyclopropanecarbonylamino)-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 94970422
2-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82133572
N-[5-(3-amino-4-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 82176866
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46578349
N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-3,3-diphenylpropanamide
CID 108738339
ethyl [4-[[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]phenyl] carbonate
CID 108761038

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide (CID 82342338) is N-[5-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide is COc1ccc(-c2nc(NC(=O)C3CC3)sc2N)cc1C.
What is the InChIKey of N-[5-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is VMRJPSICJLOUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-8-7-10(5-6-11(8)20-2)12-13(16)21-15(17-12)18-14(19)9-3-4-9/h5-7,9H,3-4,16H2,1-2H3,(H,17,18,19).
What are the key properties of N-[5-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide?
N-[5-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 303.39 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 82342338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).