N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-chloro-1,3,4-thiadiazole-2-carboxamide

C12H12ClN5O2S — CID 80617996

IUPACN-[1-[4-(carbamoylamino)phenyl]ethyl]-5-chloro-1,3,4-thiadiazole-2-carboxamide
SMILESCC(NC(=O)c1nnc(Cl)s1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C12H12ClN5O2S/c1-6(15-9(19)10-17-18-11(13)21-10)7-2-4-8(5-3-7)16-12(14)20/h2-6H,1H3,(H,15,19)(H3,14,16,20)
InChIKeyZFQXCQWKAIVSTK-UHFFFAOYSA-N
MW325.78 g/mol
LogP2.17
Rot. Bonds4

About N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-chloro-1,3,4-thiadiazole-2-carboxamide

N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-chloro-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617996) has the molecular formula C12H12ClN5O2S and a molecular weight of 325.78 g/mol. Its IUPAC name is N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-chloro-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(carbamoylamino)phenyl]ethyl]-5-chloro-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617996
Molecular FormulaC12H12ClN5O2S
Molecular Weight325.78 g/mol
Exact Mass325.04
IUPAC NameN-[1-[4-(carbamoylamino)phenyl]ethyl]-5-chloro-1,3,4-thiadiazole-2-carboxamide
SMILESCC(NC(=O)c1nnc(Cl)s1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C12H12ClN5O2S/c1-6(15-9(19)10-17-18-11(13)21-10)7-2-4-8(5-3-7)16-12(14)20/h2-6H,1H3,(H,15,19)(H3,14,16,20)
InChIKeyZFQXCQWKAIVSTK-UHFFFAOYSA-N
XLogP2.17
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.78
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-chloro-1,3,4-thiadiazole-2-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

5-chloro-N-[1-(4-sulfamoylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618162
5-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625192
N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-methylthiophene-2-carboxamide
CID 47034489
4,5-dibromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]thiophene-2-carboxamide
CID 71684807
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]furan-3-carboxamide
CID 106852997
5-chloro-N-[1-(2,6-difluorophenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625249
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]acetamide
CID 63678917
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide
CID 107903500
5-chloro-N-[1-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625167
5-chloro-N-[4-(propanoylamino)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80624941
4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 2454749
N-(4-bromophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625889

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-chloro-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-chloro-1,3,4-thiadiazole-2-carboxamide (CID 80617996) is N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-chloro-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-chloro-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-chloro-1,3,4-thiadiazole-2-carboxamide is CC(NC(=O)c1nnc(Cl)s1)c1ccc(NC(N)=O)cc1.
What is the InChIKey of N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-chloro-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is ZFQXCQWKAIVSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5O2S/c1-6(15-9(19)10-17-18-11(13)21-10)7-2-4-8(5-3-7)16-12(14)20/h2-6H,1H3,(H,15,19)(H3,14,16,20).
What are the key properties of N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-chloro-1,3,4-thiadiazole-2-carboxamide?
N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-chloro-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 325.78 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-chloro-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).