N-cyclopentyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide

C14H22N4O2S — CID 939105

IUPACN-cyclopentyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide
SMILESCCCc1nnc(NC(=O)CCC(=O)NC2CCCC2)s1
InChIInChI=1S/C14H22N4O2S/c1-2-5-13-17-18-14(21-13)16-12(20)9-8-11(19)15-10-6-3-4-7-10/h10H,2-9H2,1H3,(H,15,19)(H,16,18,20)
InChIKeyUBXZRZQSSLLBSV-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.27
Rot. Bonds7

About N-cyclopentyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide

N-cyclopentyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide (PubChem CID 939105) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-cyclopentyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide
PubChem CID939105
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC NameN-cyclopentyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide
SMILESCCCc1nnc(NC(=O)CCC(=O)NC2CCCC2)s1
InChIInChI=1S/C14H22N4O2S/c1-2-5-13-17-18-14(21-13)16-12(20)9-8-11(19)15-10-6-3-4-7-10/h10H,2-9H2,1H3,(H,15,19)(H,16,18,20)
InChIKeyUBXZRZQSSLLBSV-UHFFFAOYSA-N
XLogP2.27
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide?
The IUPAC name of N-cyclopentyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide (CID 939105) is N-cyclopentyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide.
What is the SMILES notation for N-cyclopentyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide?
The canonical SMILES for N-cyclopentyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide is CCCc1nnc(NC(=O)CCC(=O)NC2CCCC2)s1.
What is the InChIKey of N-cyclopentyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide?
The InChIKey is UBXZRZQSSLLBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-2-5-13-17-18-14(21-13)16-12(20)9-8-11(19)15-10-6-3-4-7-10/h10H,2-9H2,1H3,(H,15,19)(H,16,18,20).
What are the key properties of N-cyclopentyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide?
N-cyclopentyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide has a molecular weight of 310.42 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide is sourced from PubChem (CID 939105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).