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

C14H22N4O3S — CID 665488

IUPACN-(oxolan-2-ylmethyl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide
SMILESCC(C)c1nnc(NC(=O)CCC(=O)NCC2CCCO2)s1
InChIInChI=1S/C14H22N4O3S/c1-9(2)13-17-18-14(22-13)16-12(20)6-5-11(19)15-8-10-4-3-7-21-10/h9-10H,3-8H2,1-2H3,(H,15,19)(H,16,18,20)
InChIKeyUEKNZHAQWKFJQV-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.68
Rot. Bonds7

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

N-(oxolan-2-ylmethyl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide (PubChem CID 665488) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide
PubChem CID665488
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC NameN-(oxolan-2-ylmethyl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide
SMILESCC(C)c1nnc(NC(=O)CCC(=O)NCC2CCCO2)s1
InChIInChI=1S/C14H22N4O3S/c1-9(2)13-17-18-14(22-13)16-12(20)6-5-11(19)15-8-10-4-3-7-21-10/h9-10H,3-8H2,1-2H3,(H,15,19)(H,16,18,20)
InChIKeyUEKNZHAQWKFJQV-UHFFFAOYSA-N
XLogP1.68
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide (CID 665488) is N-(oxolan-2-ylmethyl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide is CC(C)c1nnc(NC(=O)CCC(=O)NCC2CCCO2)s1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide?
The InChIKey is UEKNZHAQWKFJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-9(2)13-17-18-14(22-13)16-12(20)6-5-11(19)15-8-10-4-3-7-21-10/h9-10H,3-8H2,1-2H3,(H,15,19)(H,16,18,20).
What are the key properties of N-(oxolan-2-ylmethyl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide?
N-(oxolan-2-ylmethyl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide has a molecular weight of 326.42 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide is sourced from PubChem (CID 665488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).