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

C15H16N4OS — CID 4566591

IUPACN-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESCc1ccc(Cc2cnc(NC(=O)C3=NCCN3)s2)cc1
InChIInChI=1S/C15H16N4OS/c1-10-2-4-11(5-3-10)8-12-9-18-15(21-12)19-14(20)13-16-6-7-17-13/h2-5,9H,6-8H2,1H3,(H,16,17)(H,18,19,20)
InChIKeyMEVDEPAFQPCUAZ-UHFFFAOYSA-N
MW300.39 g/mol
LogP1.98
Rot. Bonds4

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

N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide (PubChem CID 4566591) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide
PubChem CID4566591
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC NameN-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESCc1ccc(Cc2cnc(NC(=O)C3=NCCN3)s2)cc1
InChIInChI=1S/C15H16N4OS/c1-10-2-4-11(5-3-10)8-12-9-18-15(21-12)19-14(20)13-16-6-7-17-13/h2-5,9H,6-8H2,1H3,(H,16,17)(H,18,19,20)
InChIKeyMEVDEPAFQPCUAZ-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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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The IUPAC name of N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide (CID 4566591) is N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide is Cc1ccc(Cc2cnc(NC(=O)C3=NCCN3)s2)cc1.
What is the InChIKey of N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The InChIKey is MEVDEPAFQPCUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-10-2-4-11(5-3-10)8-12-9-18-15(21-12)19-14(20)13-16-6-7-17-13/h2-5,9H,6-8H2,1H3,(H,16,17)(H,18,19,20).
What are the key properties of N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide?
N-[5-[(4-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-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide is sourced from PubChem (CID 4566591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).