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

C12H12ClN3OS — CID 110870261

IUPAC2-chloro-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]benzamide
SMILESCc1nnc(CCNC(=O)c2ccccc2Cl)s1
InChIInChI=1S/C12H12ClN3OS/c1-8-15-16-11(18-8)6-7-14-12(17)9-4-2-3-5-10(9)13/h2-5H,6-7H2,1H3,(H,14,17)
InChIKeyQSMNSWQDSIIYHG-UHFFFAOYSA-N
MW281.77 g/mol
LogP2.47
Rot. Bonds4

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

2-chloro-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]benzamide (PubChem CID 110870261) has the molecular formula C12H12ClN3OS and a molecular weight of 281.77 g/mol. Its IUPAC name is 2-chloro-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]benzamide
PubChem CID110870261
Molecular FormulaC12H12ClN3OS
Molecular Weight281.77 g/mol
Exact Mass281.04
IUPAC Name2-chloro-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]benzamide
SMILESCc1nnc(CCNC(=O)c2ccccc2Cl)s1
InChIInChI=1S/C12H12ClN3OS/c1-8-15-16-11(18-8)6-7-14-12(17)9-4-2-3-5-10(9)13/h2-5H,6-7H2,1H3,(H,14,17)
InChIKeyQSMNSWQDSIIYHG-UHFFFAOYSA-N
XLogP2.47
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.77
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide
CID 17193600
2-[(2-chlorophenyl)methylsulfanyl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide
CID 90647333
2-chloro-N-[2-[5-[(4-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide
CID 17193200
N-[2-[5-[(4-bromobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide
CID 17193064
N-[5-[2-[(2-chlorobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide
CID 17193357
2-chloro-N-[2-[5-[[4-(propanoylamino)benzoyl]amino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide
CID 17193659
N-[5-[2-[(2-chlorobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-3,5-dinitrobenzamide
CID 17193084
2-methoxy-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]quinoline-4-carboxamide
CID 119063740
N-[5-[2-[(2-chlorobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 17193580
3-chloro-4-fluoro-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 72924141
methyl N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]carbamate
CID 110870268
2-chloro-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 110441971

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]benzamide (CID 110870261) is 2-chloro-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]benzamide is Cc1nnc(CCNC(=O)c2ccccc2Cl)s1.
What is the InChIKey of 2-chloro-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]benzamide?
The InChIKey is QSMNSWQDSIIYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3OS/c1-8-15-16-11(18-8)6-7-14-12(17)9-4-2-3-5-10(9)13/h2-5H,6-7H2,1H3,(H,14,17).
What are the key properties of 2-chloro-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]benzamide?
2-chloro-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]benzamide has a molecular weight of 281.77 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 110870261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).