N-(4-chlorophenyl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide

C15H17ClN4O2S — CID 1401153

IUPACN-(4-chlorophenyl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide
SMILESCC(C)c1nnc(NC(=O)CCC(=O)Nc2ccc(Cl)cc2)s1
InChIInChI=1S/C15H17ClN4O2S/c1-9(2)14-19-20-15(23-14)18-13(22)8-7-12(21)17-11-5-3-10(16)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,17,21)(H,18,20,22)
InChIKeyHWLQQVQIGMTPPU-UHFFFAOYSA-N
MW352.85 g/mol
LogP3.67
Rot. Bonds6

About N-(4-chlorophenyl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide

N-(4-chlorophenyl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide (PubChem CID 1401153) has the molecular formula C15H17ClN4O2S and a molecular weight of 352.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide
PubChem CID1401153
Molecular FormulaC15H17ClN4O2S
Molecular Weight352.85 g/mol
Exact Mass352.08
IUPAC NameN-(4-chlorophenyl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide
SMILESCC(C)c1nnc(NC(=O)CCC(=O)Nc2ccc(Cl)cc2)s1
InChIInChI=1S/C15H17ClN4O2S/c1-9(2)14-19-20-15(23-14)18-13(22)8-7-12(21)17-11-5-3-10(16)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,17,21)(H,18,20,22)
InChIKeyHWLQQVQIGMTPPU-UHFFFAOYSA-N
XLogP3.67
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.85
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide?
The IUPAC name of N-(4-chlorophenyl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide (CID 1401153) is N-(4-chlorophenyl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide.
What is the SMILES notation for N-(4-chlorophenyl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide?
The canonical SMILES for N-(4-chlorophenyl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide is CC(C)c1nnc(NC(=O)CCC(=O)Nc2ccc(Cl)cc2)s1.
What is the InChIKey of N-(4-chlorophenyl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide?
The InChIKey is HWLQQVQIGMTPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2S/c1-9(2)14-19-20-15(23-14)18-13(22)8-7-12(21)17-11-5-3-10(16)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,17,21)(H,18,20,22).
What are the key properties of N-(4-chlorophenyl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide?
N-(4-chlorophenyl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide has a molecular weight of 352.85 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide is sourced from PubChem (CID 1401153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).