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

C16H18N4OS — CID 4554526

IUPACN-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESCCc1ccc(Cc2cnc(NC(=O)C3=NCCN3)s2)cc1
InChIInChI=1S/C16H18N4OS/c1-2-11-3-5-12(6-4-11)9-13-10-19-16(22-13)20-15(21)14-17-7-8-18-14/h3-6,10H,2,7-9H2,1H3,(H,17,18)(H,19,20,21)
InChIKeyRSJUCGVKQXEZTO-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.24
Rot. Bonds5

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

N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide (PubChem CID 4554526) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide
PubChem CID4554526
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC NameN-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESCCc1ccc(Cc2cnc(NC(=O)C3=NCCN3)s2)cc1
InChIInChI=1S/C16H18N4OS/c1-2-11-3-5-12(6-4-11)9-13-10-19-16(22-13)20-15(21)14-17-7-8-18-14/h3-6,10H,2,7-9H2,1H3,(H,17,18)(H,19,20,21)
InChIKeyRSJUCGVKQXEZTO-UHFFFAOYSA-N
XLogP2.24
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The IUPAC name of N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide (CID 4554526) is N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide is CCc1ccc(Cc2cnc(NC(=O)C3=NCCN3)s2)cc1.
What is the InChIKey of N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The InChIKey is RSJUCGVKQXEZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-2-11-3-5-12(6-4-11)9-13-10-19-16(22-13)20-15(21)14-17-7-8-18-14/h3-6,10H,2,7-9H2,1H3,(H,17,18)(H,19,20,21).
What are the key properties of N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide?
N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide is sourced from PubChem (CID 4554526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).