N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(thiophen-2-ylmethyl)butanediamide

C17H22N4O2S2 — CID 663765

IUPACN'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(thiophen-2-ylmethyl)butanediamide
SMILESO=C(CCC(=O)Nc1nnc(C2CCCCC2)s1)NCc1cccs1
InChIInChI=1S/C17H22N4O2S2/c22-14(18-11-13-7-4-10-24-13)8-9-15(23)19-17-21-20-16(25-17)12-5-2-1-3-6-12/h4,7,10,12H,1-3,5-6,8-9,11H2,(H,18,22)(H,19,21,23)
InChIKeyPKPASUMWCSRCCR-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.68
Rot. Bonds7

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

N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(thiophen-2-ylmethyl)butanediamide (PubChem CID 663765) has the molecular formula C17H22N4O2S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(thiophen-2-ylmethyl)butanediamide.

Molecular Properties

Compound NameN'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(thiophen-2-ylmethyl)butanediamide
PubChem CID663765
Molecular FormulaC17H22N4O2S2
Molecular Weight378.52 g/mol
Exact Mass378.12
IUPAC NameN'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(thiophen-2-ylmethyl)butanediamide
SMILESO=C(CCC(=O)Nc1nnc(C2CCCCC2)s1)NCc1cccs1
InChIInChI=1S/C17H22N4O2S2/c22-14(18-11-13-7-4-10-24-13)8-9-15(23)19-17-21-20-16(25-17)12-5-2-1-3-6-12/h4,7,10,12H,1-3,5-6,8-9,11H2,(H,18,22)(H,19,21,23)
InChIKeyPKPASUMWCSRCCR-UHFFFAOYSA-N
XLogP3.68
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(thiophen-2-ylmethyl)butanediamide?
The IUPAC name of N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(thiophen-2-ylmethyl)butanediamide (CID 663765) is N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(thiophen-2-ylmethyl)butanediamide.
What is the SMILES notation for N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(thiophen-2-ylmethyl)butanediamide?
The canonical SMILES for N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(thiophen-2-ylmethyl)butanediamide is O=C(CCC(=O)Nc1nnc(C2CCCCC2)s1)NCc1cccs1.
What is the InChIKey of N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(thiophen-2-ylmethyl)butanediamide?
The InChIKey is PKPASUMWCSRCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S2/c22-14(18-11-13-7-4-10-24-13)8-9-15(23)19-17-21-20-16(25-17)12-5-2-1-3-6-12/h4,7,10,12H,1-3,5-6,8-9,11H2,(H,18,22)(H,19,21,23).
What are the key properties of N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(thiophen-2-ylmethyl)butanediamide?
N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(thiophen-2-ylmethyl)butanediamide has a molecular weight of 378.52 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(thiophen-2-ylmethyl)butanediamide is sourced from PubChem (CID 663765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).