N-[2-[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide

C15H17ClN4O2S — CID 17193600

IUPACN-[2-[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide
SMILESCCCC(=O)Nc1nnc(CCNC(=O)c2ccccc2Cl)s1
InChIInChI=1S/C15H17ClN4O2S/c1-2-5-12(21)18-15-20-19-13(23-15)8-9-17-14(22)10-6-3-4-7-11(10)16/h3-4,6-7H,2,5,8-9H2,1H3,(H,17,22)(H,18,20,21)
InChIKeyRQNVUINFCUMBMJ-UHFFFAOYSA-N
MW352.85 g/mol
LogP2.90
Rot. Bonds7

About N-[2-[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide

N-[2-[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide (PubChem CID 17193600) has the molecular formula C15H17ClN4O2S and a molecular weight of 352.85 g/mol. Its IUPAC name is N-[2-[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide
PubChem CID17193600
Molecular FormulaC15H17ClN4O2S
Molecular Weight352.85 g/mol
Exact Mass352.08
IUPAC NameN-[2-[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide
SMILESCCCC(=O)Nc1nnc(CCNC(=O)c2ccccc2Cl)s1
InChIInChI=1S/C15H17ClN4O2S/c1-2-5-12(21)18-15-20-19-13(23-15)8-9-17-14(22)10-6-3-4-7-11(10)16/h3-4,6-7H,2,5,8-9H2,1H3,(H,17,22)(H,18,20,21)
InChIKeyRQNVUINFCUMBMJ-UHFFFAOYSA-N
XLogP2.90
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.85
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide 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-[2-[5-[[3-(butanoylamino)benzoyl]amino]-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide
CID 17193627
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]-2-ethoxybenzamide
CID 17193357
N-[2-[5-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide
CID 17193875
2-chloro-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]benzamide
CID 110870261
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
2-chloro-N-[2-[5-[[2-[(4-chlorophenyl)methylsulfonyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide
CID 17225302
N-[5-[2-[(2-chlorobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-3,5-dinitrobenzamide
CID 17193084
2-chloro-N-[2-[5-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide
CID 17193337
N-[5-[2-[(2-chlorobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 17193580
2-(2-chlorophenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 34107644

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide?
The IUPAC name of N-[2-[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide (CID 17193600) is N-[2-[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide.
What is the SMILES notation for N-[2-[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide?
The canonical SMILES for N-[2-[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide is CCCC(=O)Nc1nnc(CCNC(=O)c2ccccc2Cl)s1.
What is the InChIKey of N-[2-[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide?
The InChIKey is RQNVUINFCUMBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2S/c1-2-5-12(21)18-15-20-19-13(23-15)8-9-17-14(22)10-6-3-4-7-11(10)16/h3-4,6-7H,2,5,8-9H2,1H3,(H,17,22)(H,18,20,21).
What are the key properties of N-[2-[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide?
N-[2-[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide has a molecular weight of 352.85 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide is sourced from PubChem (CID 17193600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).