N-[(4-cyclohexylthiadiazol-5-yl)methyl]propan-2-amine

C12H21N3S — CID 65209517

IUPACN-[(4-cyclohexylthiadiazol-5-yl)methyl]propan-2-amine
SMILESCC(C)NCc1snnc1C1CCCCC1
InChIInChI=1S/C12H21N3S/c1-9(2)13-8-11-12(14-15-16-11)10-6-4-3-5-7-10/h9-10,13H,3-8H2,1-2H3
InChIKeyNBCFUEJJWPEQQC-UHFFFAOYSA-N
MW239.39 g/mol
LogP3.08
Rot. Bonds4

About N-[(4-cyclohexylthiadiazol-5-yl)methyl]propan-2-amine

N-[(4-cyclohexylthiadiazol-5-yl)methyl]propan-2-amine (PubChem CID 65209517) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-[(4-cyclohexylthiadiazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-cyclohexylthiadiazol-5-yl)methyl]propan-2-amine
PubChem CID65209517
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-[(4-cyclohexylthiadiazol-5-yl)methyl]propan-2-amine
SMILESCC(C)NCc1snnc1C1CCCCC1
InChIInChI=1S/C12H21N3S/c1-9(2)13-8-11-12(14-15-16-11)10-6-4-3-5-7-10/h9-10,13H,3-8H2,1-2H3
InChIKeyNBCFUEJJWPEQQC-UHFFFAOYSA-N
XLogP3.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-cyclohexylthiadiazol-5-yl)methyl]propan-2-amine 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 N-[(4-cyclohexylthiadiazol-5-yl)methyl]propan-2-amine?
The IUPAC name of N-[(4-cyclohexylthiadiazol-5-yl)methyl]propan-2-amine (CID 65209517) is N-[(4-cyclohexylthiadiazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-cyclohexylthiadiazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-cyclohexylthiadiazol-5-yl)methyl]propan-2-amine is CC(C)NCc1snnc1C1CCCCC1.
What is the InChIKey of N-[(4-cyclohexylthiadiazol-5-yl)methyl]propan-2-amine?
The InChIKey is NBCFUEJJWPEQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-9(2)13-8-11-12(14-15-16-11)10-6-4-3-5-7-10/h9-10,13H,3-8H2,1-2H3.
What are the key properties of N-[(4-cyclohexylthiadiazol-5-yl)methyl]propan-2-amine?
N-[(4-cyclohexylthiadiazol-5-yl)methyl]propan-2-amine has a molecular weight of 239.39 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexylthiadiazol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 65209517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).