3-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

C10H8ClN3OS — CID 836133

IUPAC3-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2cccc(Cl)c2)s1
InChIInChI=1S/C10H8ClN3OS/c1-6-13-14-10(16-6)12-9(15)7-3-2-4-8(11)5-7/h2-5H,1H3,(H,12,14,15)
InChIKeyPQXUYPINIBVWOX-UHFFFAOYSA-N
MW253.71 g/mol
LogP2.75
Rot. Bonds2

About 3-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

3-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 836133) has the molecular formula C10H8ClN3OS and a molecular weight of 253.71 g/mol. Its IUPAC name is 3-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID836133
Molecular FormulaC10H8ClN3OS
Molecular Weight253.71 g/mol
Exact Mass253.01
IUPAC Name3-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2cccc(Cl)c2)s1
InChIInChI=1S/C10H8ClN3OS/c1-6-13-14-10(16-6)12-9(15)7-3-2-4-8(11)5-7/h2-5H,1H3,(H,12,14,15)
InChIKeyPQXUYPINIBVWOX-UHFFFAOYSA-N
XLogP2.75
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide 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-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 821478
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 676913
N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide
CID 816787
2,4-dichloro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1103113
N-(5-Benzyl-[1,3,4]thiadiazol-2-yl)-3-methyl-benzamide
CID 832881
2-chloro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1284554
2-chloro-N-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl}benzamide
CID 2103737
2-chloro-N-[3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 2443348
N-(5-Methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 569553
N-[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 569481
N-(5-Ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 569586
2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 838742

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (CID 836133) is 3-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is Cc1nnc(NC(=O)c2cccc(Cl)c2)s1.
What is the InChIKey of 3-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is PQXUYPINIBVWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3OS/c1-6-13-14-10(16-6)12-9(15)7-3-2-4-8(11)5-7/h2-5H,1H3,(H,12,14,15).
What are the key properties of 3-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
3-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 253.71 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 836133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).