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

C15H16N4OS — CID 43836603

IUPACN-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESCc1nc(NC(=O)C2=NCCN2)sc1Cc1ccccc1
InChIInChI=1S/C15H16N4OS/c1-10-12(9-11-5-3-2-4-6-11)21-15(18-10)19-14(20)13-16-7-8-17-13/h2-6H,7-9H2,1H3,(H,16,17)(H,18,19,20)
InChIKeyIERSNERWAJVWMI-UHFFFAOYSA-N
MW300.39 g/mol
LogP1.98
Rot. Bonds4

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

N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-imidazole-2-carboxamide (PubChem CID 43836603) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-imidazole-2-carboxamide
PubChem CID43836603
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC NameN-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESCc1nc(NC(=O)C2=NCCN2)sc1Cc1ccccc1
InChIInChI=1S/C15H16N4OS/c1-10-12(9-11-5-3-2-4-6-11)21-15(18-10)19-14(20)13-16-7-8-17-13/h2-6H,7-9H2,1H3,(H,16,17)(H,18,19,20)
InChIKeyIERSNERWAJVWMI-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

N-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide
CID 43836602
N-[4-methyl-5-[(4-nitrophenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide
CID 43836606
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide
CID 43836367
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide
CID 43837130
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 43836729
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 43836531
N-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 43836440
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-3-(5-methylfuran-2-yl)propanamide
CID 43837040
4-chloro-N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 43836537
N-[4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 43836442
2-chloro-N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 43836464
N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-3-phenylimidazole-4-carboxamide
CID 24658343

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-imidazole-2-carboxamide?
The IUPAC name of N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-imidazole-2-carboxamide (CID 43836603) is N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-imidazole-2-carboxamide?
The canonical SMILES for N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-imidazole-2-carboxamide is Cc1nc(NC(=O)C2=NCCN2)sc1Cc1ccccc1.
What is the InChIKey of N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-imidazole-2-carboxamide?
The InChIKey is IERSNERWAJVWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-10-12(9-11-5-3-2-4-6-11)21-15(18-10)19-14(20)13-16-7-8-17-13/h2-6H,7-9H2,1H3,(H,16,17)(H,18,19,20).
What are the key properties of N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-imidazole-2-carboxamide?
N-(5-benzyl-4-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-benzyl-4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-imidazole-2-carboxamide is sourced from PubChem (CID 43836603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).