2-[1-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]acetic acid

C14H23N3O2S — CID 65270509

IUPAC2-[1-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]acetic acid
SMILESCC(C)c1nsc(NCC2(CC(=O)O)CCCCC2)n1
InChIInChI=1S/C14H23N3O2S/c1-10(2)12-16-13(20-17-12)15-9-14(8-11(18)19)6-4-3-5-7-14/h10H,3-9H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyDZDPGBJXRWBJMW-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.50
Rot. Bonds6

About 2-[1-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]acetic acid

2-[1-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]acetic acid (PubChem CID 65270509) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-[1-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]acetic acid
PubChem CID65270509
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-[1-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]acetic acid
SMILESCC(C)c1nsc(NCC2(CC(=O)O)CCCCC2)n1
InChIInChI=1S/C14H23N3O2S/c1-10(2)12-16-13(20-17-12)15-9-14(8-11(18)19)6-4-3-5-7-14/h10H,3-9H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyDZDPGBJXRWBJMW-UHFFFAOYSA-N
XLogP3.50
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]acetic acid 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 2-[1-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]acetic acid (CID 65270509) is 2-[1-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]acetic acid is CC(C)c1nsc(NCC2(CC(=O)O)CCCCC2)n1.
What is the InChIKey of 2-[1-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]acetic acid?
The InChIKey is DZDPGBJXRWBJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-10(2)12-16-13(20-17-12)15-9-14(8-11(18)19)6-4-3-5-7-14/h10H,3-9H2,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-[1-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]acetic acid?
2-[1-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]acetic acid has a molecular weight of 297.42 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 65270509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).