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

C13H13ClN4O2S — CID 2103737

IUPAC2-chloro-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide
SMILESCc1nnc(NC(=O)CCNC(=O)c2ccccc2Cl)s1
InChIInChI=1S/C13H13ClN4O2S/c1-8-17-18-13(21-8)16-11(19)6-7-15-12(20)9-4-2-3-5-10(9)14/h2-5H,6-7H2,1H3,(H,15,20)(H,16,18,19)
InChIKeyBIPJDVQEBUGNBH-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.26
Rot. Bonds5

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

2-chloro-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide (PubChem CID 2103737) has the molecular formula C13H13ClN4O2S and a molecular weight of 324.79 g/mol. Its IUPAC name is 2-chloro-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide
PubChem CID2103737
Molecular FormulaC13H13ClN4O2S
Molecular Weight324.79 g/mol
Exact Mass324.04
IUPAC Name2-chloro-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide
SMILESCc1nnc(NC(=O)CCNC(=O)c2ccccc2Cl)s1
InChIInChI=1S/C13H13ClN4O2S/c1-8-17-18-13(21-8)16-11(19)6-7-15-12(20)9-4-2-3-5-10(9)14/h2-5H,6-7H2,1H3,(H,15,20)(H,16,18,19)
InChIKeyBIPJDVQEBUGNBH-UHFFFAOYSA-N
XLogP2.26
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1284554
2-chloro-N-[3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 2443348
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
2,4-Dichloro-N-[5-(2-piperidin-1-yl-ethyl)-[1,3,4]thiadiazol-2-yl]-benzamide
CID 1409656

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide (CID 2103737) is 2-chloro-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide is Cc1nnc(NC(=O)CCNC(=O)c2ccccc2Cl)s1.
What is the InChIKey of 2-chloro-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide?
The InChIKey is BIPJDVQEBUGNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2S/c1-8-17-18-13(21-8)16-11(19)6-7-15-12(20)9-4-2-3-5-10(9)14/h2-5H,6-7H2,1H3,(H,15,20)(H,16,18,19).
What are the key properties of 2-chloro-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide?
2-chloro-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide has a molecular weight of 324.79 g/mol, XLogP of 2.26, 5 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-methyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 2103737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).