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

C15H15ClN4O2S — CID 2100275

IUPAC2-chloro-N-[3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)Nc1nnc(C2CC2)s1
InChIInChI=1S/C15H15ClN4O2S/c16-11-4-2-1-3-10(11)13(22)17-8-7-12(21)18-15-20-19-14(23-15)9-5-6-9/h1-4,9H,5-8H2,(H,17,22)(H,18,20,21)
InChIKeyAJUQXBQLDDZQIY-UHFFFAOYSA-N
MW350.83 g/mol
LogP2.83
Rot. Bonds6

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

2-chloro-N-[3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide (PubChem CID 2100275) has the molecular formula C15H15ClN4O2S and a molecular weight of 350.83 g/mol. Its IUPAC name is 2-chloro-N-[3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide
PubChem CID2100275
Molecular FormulaC15H15ClN4O2S
Molecular Weight350.83 g/mol
Exact Mass350.06
IUPAC Name2-chloro-N-[3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)Nc1nnc(C2CC2)s1
InChIInChI=1S/C15H15ClN4O2S/c16-11-4-2-1-3-10(11)13(22)17-8-7-12(21)18-15-20-19-14(23-15)9-5-6-9/h1-4,9H,5-8H2,(H,17,22)(H,18,20,21)
InChIKeyAJUQXBQLDDZQIY-UHFFFAOYSA-N
XLogP2.83
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 52.83
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-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-(2-chlorobenzyl)-N'-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
CID 1398193
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
(S)-2-Chloro-N-(1-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)amino)-1-oxopropan-2-yl)benzamide
CID 2476184

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide (CID 2100275) is 2-chloro-N-[3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccccc1Cl)Nc1nnc(C2CC2)s1.
What is the InChIKey of 2-chloro-N-[3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide?
The InChIKey is AJUQXBQLDDZQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2S/c16-11-4-2-1-3-10(11)13(22)17-8-7-12(21)18-15-20-19-14(23-15)9-5-6-9/h1-4,9H,5-8H2,(H,17,22)(H,18,20,21).
What are the key properties of 2-chloro-N-[3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide?
2-chloro-N-[3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide has a molecular weight of 350.83 g/mol, XLogP of 2.83, 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-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 2100275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).