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

C14H15ClN4O2S — CID 2443348

IUPAC2-chloro-N-[3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide
SMILESCCc1nnc(NC(=O)CCNC(=O)c2ccccc2Cl)s1
InChIInChI=1S/C14H15ClN4O2S/c1-2-12-18-19-14(22-12)17-11(20)7-8-16-13(21)9-5-3-4-6-10(9)15/h3-6H,2,7-8H2,1H3,(H,16,21)(H,17,19,20)
InChIKeyFYZXJJWZUJKNNC-UHFFFAOYSA-N
MW338.82 g/mol
LogP2.51
Rot. Bonds6

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

2-chloro-N-[3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide (PubChem CID 2443348) has the molecular formula C14H15ClN4O2S and a molecular weight of 338.82 g/mol. Its IUPAC name is 2-chloro-N-[3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide
PubChem CID2443348
Molecular FormulaC14H15ClN4O2S
Molecular Weight338.82 g/mol
Exact Mass338.06
IUPAC Name2-chloro-N-[3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide
SMILESCCc1nnc(NC(=O)CCNC(=O)c2ccccc2Cl)s1
InChIInChI=1S/C14H15ClN4O2S/c1-2-12-18-19-14(22-12)17-11(20)7-8-16-13(21)9-5-3-4-6-10(9)15/h3-6H,2,7-8H2,1H3,(H,16,21)(H,17,19,20)
InChIKeyFYZXJJWZUJKNNC-UHFFFAOYSA-N
XLogP2.51
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1103113
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
N-(2-chlorobenzyl)-N'-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
CID 1398193
N-(5-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-chlorobenzamide
CID 3154020
2-Chloro-5-diethylsulfamoyl-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 1117935
1-(4-chlorobenzoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 4802593
2-chloro-N-[3-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 9406669
2-chloro-N-[5-(2-fluorobenzyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 783368
3-chloro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1402776
2-chloro-N-[3-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 4826972
N-(2-chlorobenzyl)-N'-[(2Z)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
CID 1400099

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide (CID 2443348) is 2-chloro-N-[3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide is CCc1nnc(NC(=O)CCNC(=O)c2ccccc2Cl)s1.
What is the InChIKey of 2-chloro-N-[3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide?
The InChIKey is FYZXJJWZUJKNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2S/c1-2-12-18-19-14(22-12)17-11(20)7-8-16-13(21)9-5-3-4-6-10(9)15/h3-6H,2,7-8H2,1H3,(H,16,21)(H,17,19,20).
What are the key properties of 2-chloro-N-[3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide?
2-chloro-N-[3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide has a molecular weight of 338.82 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 2443348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).