N-[N'-(4-phenyl-1,3-thiazol-2-yl)carbamimidoyl]propanamide

C13H14N4OS — CID 86232450

IUPACN-[N'-(4-phenyl-1,3-thiazol-2-yl)carbamimidoyl]propanamide
SMILESCCC(=O)NC(N)=Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C13H14N4OS/c1-2-11(18)16-12(14)17-13-15-10(8-19-13)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H3,14,15,16,17,18)
InChIKeyQOBWTXUPLSMNOC-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.28
Rot. Bonds3

About N-[N'-(4-phenyl-1,3-thiazol-2-yl)carbamimidoyl]propanamide

N-[N'-(4-phenyl-1,3-thiazol-2-yl)carbamimidoyl]propanamide (PubChem CID 86232450) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is N-[N'-(4-phenyl-1,3-thiazol-2-yl)carbamimidoyl]propanamide.

Molecular Properties

Compound NameN-[N'-(4-phenyl-1,3-thiazol-2-yl)carbamimidoyl]propanamide
PubChem CID86232450
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC NameN-[N'-(4-phenyl-1,3-thiazol-2-yl)carbamimidoyl]propanamide
SMILESCCC(=O)NC(N)=Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C13H14N4OS/c1-2-11(18)16-12(14)17-13-15-10(8-19-13)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H3,14,15,16,17,18)
InChIKeyQOBWTXUPLSMNOC-UHFFFAOYSA-N
XLogP2.28
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
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-[N'-(4-phenyl-1,3-thiazol-2-yl)carbamimidoyl]propanamide 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

1-(2-methoxyphenyl)-3-[(E)-N'-(4-phenyl-1,3-thiazol-2-yl)carbamimidoyl]urea
CID 171814784
N-ethyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetamide
CID 86802898
ethyl (2E)-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propanoate
CID 13157648
2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide
CID 24854875
N-[N'-[4-[1-[(N-cyano-N'-methylcarbamimidoyl)amino]butyl]-1,3-thiazol-2-yl]carbamimidoyl]propanamide
CID 74042247
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]propanamide;hydrochloride
CID 42914899
N-[[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 10661107
2-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 43627750
2-amino-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 139386677
2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133
(4-phenyl-1,3-thiazol-2-yl)thiourea
CID 799782
[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]methylurea
CID 19439678

Frequently Asked Questions

What is the IUPAC name of N-[N'-(4-phenyl-1,3-thiazol-2-yl)carbamimidoyl]propanamide?
The IUPAC name of N-[N'-(4-phenyl-1,3-thiazol-2-yl)carbamimidoyl]propanamide (CID 86232450) is N-[N'-(4-phenyl-1,3-thiazol-2-yl)carbamimidoyl]propanamide.
What is the SMILES notation for N-[N'-(4-phenyl-1,3-thiazol-2-yl)carbamimidoyl]propanamide?
The canonical SMILES for N-[N'-(4-phenyl-1,3-thiazol-2-yl)carbamimidoyl]propanamide is CCC(=O)NC(N)=Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-[N'-(4-phenyl-1,3-thiazol-2-yl)carbamimidoyl]propanamide?
The InChIKey is QOBWTXUPLSMNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-2-11(18)16-12(14)17-13-15-10(8-19-13)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H3,14,15,16,17,18).
What are the key properties of N-[N'-(4-phenyl-1,3-thiazol-2-yl)carbamimidoyl]propanamide?
N-[N'-(4-phenyl-1,3-thiazol-2-yl)carbamimidoyl]propanamide has a molecular weight of 274.35 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-(4-phenyl-1,3-thiazol-2-yl)carbamimidoyl]propanamide is sourced from PubChem (CID 86232450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).