N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1-methylimidazole-4-carboxamide

C14H13N5OS — CID 107970959

IUPACN-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)Nc2nc(-c3ccc(N)cc3)cs2)c1
InChIInChI=1S/C14H13N5OS/c1-19-6-11(16-8-19)13(20)18-14-17-12(7-21-14)9-2-4-10(15)5-3-9/h2-8H,15H2,1H3,(H,17,18,20)
InChIKeyIDNUQYMOXISRLB-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.38
Rot. Bonds3

About N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1-methylimidazole-4-carboxamide

N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1-methylimidazole-4-carboxamide (PubChem CID 107970959) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1-methylimidazole-4-carboxamide
PubChem CID107970959
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC NameN-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)Nc2nc(-c3ccc(N)cc3)cs2)c1
InChIInChI=1S/C14H13N5OS/c1-19-6-11(16-8-19)13(20)18-14-17-12(7-21-14)9-2-4-10(15)5-3-9/h2-8H,15H2,1H3,(H,17,18,20)
InChIKeyIDNUQYMOXISRLB-UHFFFAOYSA-N
XLogP2.38
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 28861353
3-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1,1-dimethylurea
CID 79153497
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-bromobenzamide
CID 28861346
1-methyl-3-N,5-N-bis(4-phenyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide
CID 44824119
methyl 2-[2-[(1-methylimidazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 113264976
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 16619036
ethane;N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 153338927
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide
CID 28861401
1-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]imidazole-4-carboxamide
CID 122156292
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949174
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-methyloxolane-3-carboxamide
CID 114824222
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
CID 134812941

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1-methylimidazole-4-carboxamide?
The IUPAC name of N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1-methylimidazole-4-carboxamide (CID 107970959) is N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1-methylimidazole-4-carboxamide is Cn1cnc(C(=O)Nc2nc(-c3ccc(N)cc3)cs2)c1.
What is the InChIKey of N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1-methylimidazole-4-carboxamide?
The InChIKey is IDNUQYMOXISRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c1-19-6-11(16-8-19)13(20)18-14-17-12(7-21-14)9-2-4-10(15)5-3-9/h2-8H,15H2,1H3,(H,17,18,20).
What are the key properties of N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1-methylimidazole-4-carboxamide?
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1-methylimidazole-4-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 107970959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).