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

C15H18N4O2S — CID 1390721

IUPACN-phenyl-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide
SMILESCC(C)c1nnc(NC(=O)CCC(=O)Nc2ccccc2)s1
InChIInChI=1S/C15H18N4O2S/c1-10(2)14-18-19-15(22-14)17-13(21)9-8-12(20)16-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,20)(H,17,19,21)
InChIKeyBCYWANDRWRZLCK-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.02
Rot. Bonds6

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

N-phenyl-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide (PubChem CID 1390721) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-phenyl-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN-phenyl-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide
PubChem CID1390721
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-phenyl-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide
SMILESCC(C)c1nnc(NC(=O)CCC(=O)Nc2ccccc2)s1
InChIInChI=1S/C15H18N4O2S/c1-10(2)14-18-19-15(22-14)17-13(21)9-8-12(20)16-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,20)(H,17,19,21)
InChIKeyBCYWANDRWRZLCK-UHFFFAOYSA-N
XLogP3.02
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide?
The IUPAC name of N-phenyl-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide (CID 1390721) is N-phenyl-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide.
What is the SMILES notation for N-phenyl-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide?
The canonical SMILES for N-phenyl-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide is CC(C)c1nnc(NC(=O)CCC(=O)Nc2ccccc2)s1.
What is the InChIKey of N-phenyl-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide?
The InChIKey is BCYWANDRWRZLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-10(2)14-18-19-15(22-14)17-13(21)9-8-12(20)16-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,20)(H,17,19,21).
What are the key properties of N-phenyl-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide?
N-phenyl-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide has a molecular weight of 318.40 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide is sourced from PubChem (CID 1390721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).