N-[(4-carbamimidoylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide

C18H16N4OS — CID 24856375

IUPACN-[(4-carbamimidoylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILES[H]/N=C(\N)c1ccc(CNC(=O)c2cnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C18H16N4OS/c19-16(20)13-8-6-12(7-9-13)10-21-17(23)15-11-22-18(24-15)14-4-2-1-3-5-14/h1-9,11H,10H2,(H3,19,20)(H,21,23)
InChIKeySXVATDMUEDFXIJ-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.02
Rot. Bonds5

About N-[(4-carbamimidoylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide

N-[(4-carbamimidoylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 24856375) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[(4-carbamimidoylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-carbamimidoylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID24856375
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC NameN-[(4-carbamimidoylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILES[H]/N=C(\N)c1ccc(CNC(=O)c2cnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C18H16N4OS/c19-16(20)13-8-6-12(7-9-13)10-21-17(23)15-11-22-18(24-15)14-4-2-1-3-5-14/h1-9,11H,10H2,(H3,19,20)(H,21,23)
InChIKeySXVATDMUEDFXIJ-UHFFFAOYSA-N
XLogP3.02
TPSA91.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[(4-carbamimidoylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-oxo-3-(2-phenyl-1,3-thiazol-5-yl)propyl]benzenecarboximidamide
CID 58192567
N-[(4-carbamimidoylphenyl)methyl]-2-phenylbenzamide
CID 73051218
N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 110908880
N-[(4-carbamimidoylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 73052491
N-benzyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 117084347
2-(3-carbamimidoylphenyl)-N-[(4-carbamimidoylphenyl)methyl]benzamide
CID 87951271
N-(2-amino-2-ethylbutyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 119643597
N-(3-aminobutyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 119499312
N-[(4-carbamimidoylphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 155484117
N-[(2,4-dimethylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55718847
N-[(4-carbamimidoylphenyl)methyl]acetamide
CID 16744801
N-[2-(ethylamino)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119509156

Frequently Asked Questions

What is the IUPAC name of N-[(4-carbamimidoylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(4-carbamimidoylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide (CID 24856375) is N-[(4-carbamimidoylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(4-carbamimidoylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(4-carbamimidoylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide is [H]/N=C(\N)c1ccc(CNC(=O)c2cnc(-c3ccccc3)s2)cc1.
What is the InChIKey of N-[(4-carbamimidoylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is SXVATDMUEDFXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS/c19-16(20)13-8-6-12(7-9-13)10-21-17(23)15-11-22-18(24-15)14-4-2-1-3-5-14/h1-9,11H,10H2,(H3,19,20)(H,21,23).
What are the key properties of N-[(4-carbamimidoylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide?
N-[(4-carbamimidoylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 3.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-carbamimidoylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24856375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).