N-carbamoyl-N-[3-(1,3-thiazol-2-yl)phenyl]formamide

C11H9N3O2S — CID 91604276

IUPACN-carbamoyl-N-[3-(1,3-thiazol-2-yl)phenyl]formamide
SMILESNC(=O)N(C=O)c1cccc(-c2nccs2)c1
InChIInChI=1S/C11H9N3O2S/c12-11(16)14(7-15)9-3-1-2-8(6-9)10-13-4-5-17-10/h1-7H,(H2,12,16)
InChIKeyHHMXTDOIIHYMPY-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.85
Rot. Bonds3

About N-carbamoyl-N-[3-(1,3-thiazol-2-yl)phenyl]formamide

N-carbamoyl-N-[3-(1,3-thiazol-2-yl)phenyl]formamide (PubChem CID 91604276) has the molecular formula C11H9N3O2S and a molecular weight of 247.28 g/mol. Its IUPAC name is N-carbamoyl-N-[3-(1,3-thiazol-2-yl)phenyl]formamide.

Molecular Properties

Compound NameN-carbamoyl-N-[3-(1,3-thiazol-2-yl)phenyl]formamide
PubChem CID91604276
Molecular FormulaC11H9N3O2S
Molecular Weight247.28 g/mol
Exact Mass247.04
IUPAC NameN-carbamoyl-N-[3-(1,3-thiazol-2-yl)phenyl]formamide
SMILESNC(=O)N(C=O)c1cccc(-c2nccs2)c1
InChIInChI=1S/C11H9N3O2S/c12-11(16)14(7-15)9-3-1-2-8(6-9)10-13-4-5-17-10/h1-7H,(H2,12,16)
InChIKeyHHMXTDOIIHYMPY-UHFFFAOYSA-N
XLogP1.85
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-carbamoyl-N-[3-(1,3-thiazol-2-yl)phenyl]formamide 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

N,N-dimethyl-1-[3-(1,3-thiazol-2-yl)phenyl]methanamine
CID 173380030
N,N-diethyl-3-(1,3-thiazol-2-yl)benzamide
CID 110372127
2-(3-chlorophenyl)-1,3-thiazole
CID 23135786
N-[3-[3-(1,3-thiazol-2-yl)phenyl]propyl]acetamide
CID 142902094
2-(3-prop-2-enylphenyl)-1,3-thiazole
CID 141281428
N-benzyl-N-methyl-3-(1,3-thiazol-2-yl)benzamide
CID 110372097
ethane;N-methyl-3-(1,3-thiazol-2-yl)aniline
CID 143181511
3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 62834909
dichloropalladium;3-(1,3-thiazol-2-yl)benzamide;bis(triphenylphosphane)
CID 173081307
1-(2-hydroxyethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 47442231
(2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 61180169
3-amino-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 62671032

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-N-[3-(1,3-thiazol-2-yl)phenyl]formamide?
The IUPAC name of N-carbamoyl-N-[3-(1,3-thiazol-2-yl)phenyl]formamide (CID 91604276) is N-carbamoyl-N-[3-(1,3-thiazol-2-yl)phenyl]formamide.
What is the SMILES notation for N-carbamoyl-N-[3-(1,3-thiazol-2-yl)phenyl]formamide?
The canonical SMILES for N-carbamoyl-N-[3-(1,3-thiazol-2-yl)phenyl]formamide is NC(=O)N(C=O)c1cccc(-c2nccs2)c1.
What is the InChIKey of N-carbamoyl-N-[3-(1,3-thiazol-2-yl)phenyl]formamide?
The InChIKey is HHMXTDOIIHYMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2S/c12-11(16)14(7-15)9-3-1-2-8(6-9)10-13-4-5-17-10/h1-7H,(H2,12,16).
What are the key properties of N-carbamoyl-N-[3-(1,3-thiazol-2-yl)phenyl]formamide?
N-carbamoyl-N-[3-(1,3-thiazol-2-yl)phenyl]formamide has a molecular weight of 247.28 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-N-[3-(1,3-thiazol-2-yl)phenyl]formamide is sourced from PubChem (CID 91604276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).