(2S)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

C14H20N6OS2 — CID 40855936

IUPAC(2S)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESC[C@H](Sc1nncn1C)C(=O)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C14H20N6OS2/c1-9(22-14-19-15-8-20(14)2)11(21)16-13-18-17-12(23-13)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,16,18,21)/t9-/m0/s1
InChIKeyBRACCHVSEKBLHB-VIFPVBQESA-N
MW352.49 g/mol
LogP2.83
Rot. Bonds5

About (2S)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

(2S)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide (PubChem CID 40855936) has the molecular formula C14H20N6OS2 and a molecular weight of 352.49 g/mol. Its IUPAC name is (2S)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
PubChem CID40855936
Molecular FormulaC14H20N6OS2
Molecular Weight352.49 g/mol
Exact Mass352.11
IUPAC Name(2S)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESC[C@H](Sc1nncn1C)C(=O)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C14H20N6OS2/c1-9(22-14-19-15-8-20(14)2)11(21)16-13-18-17-12(23-13)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,16,18,21)/t9-/m0/s1
InChIKeyBRACCHVSEKBLHB-VIFPVBQESA-N
XLogP2.83
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2S)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The IUPAC name of (2S)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide (CID 40855936) is (2S)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide.
What is the SMILES notation for (2S)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The canonical SMILES for (2S)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide is C[C@H](Sc1nncn1C)C(=O)Nc1nnc(C2CCCCC2)s1.
What is the InChIKey of (2S)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The InChIKey is BRACCHVSEKBLHB-VIFPVBQESA-N. The full InChI is InChI=1S/C14H20N6OS2/c1-9(22-14-19-15-8-20(14)2)11(21)16-13-18-17-12(23-13)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,16,18,21)/t9-/m0/s1.
What are the key properties of (2S)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
(2S)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide has a molecular weight of 352.49 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide is sourced from PubChem (CID 40855936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).