N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide

C15H16N4OS — CID 4673983

IUPACN-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESCc1cccc(Cc2cnc(NC(=O)C3=NCCN3)s2)c1
InChIInChI=1S/C15H16N4OS/c1-10-3-2-4-11(7-10)8-12-9-18-15(21-12)19-14(20)13-16-5-6-17-13/h2-4,7,9H,5-6,8H2,1H3,(H,16,17)(H,18,19,20)
InChIKeyJBPPSAPPFSLGJU-UHFFFAOYSA-N
MW300.39 g/mol
LogP1.98
Rot. Bonds4

About N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide

N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide (PubChem CID 4673983) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide
PubChem CID4673983
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC NameN-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESCc1cccc(Cc2cnc(NC(=O)C3=NCCN3)s2)c1
InChIInChI=1S/C15H16N4OS/c1-10-3-2-4-11(7-10)8-12-9-18-15(21-12)19-14(20)13-16-5-6-17-13/h2-4,7,9H,5-6,8H2,1H3,(H,16,17)(H,18,19,20)
InChIKeyJBPPSAPPFSLGJU-UHFFFAOYSA-N
XLogP1.98
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-N-(5-phenylthiazol-2-yl)piperidine-4-carboxamide
CID 131953480
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CID 778225
N-Phenethyl-N'-thiazol-2-yl-oxalamide
CID 1870873
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-heptan-4-yl-1,3-thiazol-2-yl)pentanamide
CID 44435487
N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 2083675
2-(3,4-dimethylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2673045
5-benzyl-N-methyl-1,3-thiazol-2-amine
CID 1229694
N-(5-cyclobutylthiazol-2-yl)-2-phenylacetamide
CID 9921612
2-phenyl-N-(5-propan-2-yl-2-thiazolyl)acetamide
CID 16760027
N-(5-Ethylthiazol-2-yl)-2-phenylacetamide
CID 44396065
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide
CID 44435484
N-[5-[[4-(3-methylphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 86275056

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The IUPAC name of N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide (CID 4673983) is N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide is Cc1cccc(Cc2cnc(NC(=O)C3=NCCN3)s2)c1.
What is the InChIKey of N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The InChIKey is JBPPSAPPFSLGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-10-3-2-4-11(7-10)8-12-9-18-15(21-12)19-14(20)13-16-5-6-17-13/h2-4,7,9H,5-6,8H2,1H3,(H,16,17)(H,18,19,20).
What are the key properties of N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide?
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide has a molecular weight of 300.39 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide is sourced from PubChem (CID 4673983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).