cyclopropyl-[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine

C14H24N2S — CID 114868238

IUPACcyclopropyl-[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine
SMILESCC(C)Cc1nc(C(N)C2CC2)sc1C(C)C
InChIInChI=1S/C14H24N2S/c1-8(2)7-11-13(9(3)4)17-14(16-11)12(15)10-5-6-10/h8-10,12H,5-7,15H2,1-4H3
InChIKeyAWKMXDBJHKGVON-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.87
Rot. Bonds5

About cyclopropyl-[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine

cyclopropyl-[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine (PubChem CID 114868238) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is cyclopropyl-[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Namecyclopropyl-[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine
PubChem CID114868238
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Namecyclopropyl-[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine
SMILESCC(C)Cc1nc(C(N)C2CC2)sc1C(C)C
InChIInChI=1S/C14H24N2S/c1-8(2)7-11-13(9(3)4)17-14(16-11)12(15)10-5-6-10/h8-10,12H,5-7,15H2,1-4H3
InChIKeyAWKMXDBJHKGVON-UHFFFAOYSA-N
XLogP3.87
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclopropyl-[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine 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 cyclopropyl-[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine?
The IUPAC name of cyclopropyl-[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine (CID 114868238) is cyclopropyl-[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for cyclopropyl-[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for cyclopropyl-[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine is CC(C)Cc1nc(C(N)C2CC2)sc1C(C)C.
What is the InChIKey of cyclopropyl-[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine?
The InChIKey is AWKMXDBJHKGVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-8(2)7-11-13(9(3)4)17-14(16-11)12(15)10-5-6-10/h8-10,12H,5-7,15H2,1-4H3.
What are the key properties of cyclopropyl-[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine?
cyclopropyl-[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine has a molecular weight of 252.43 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 114868238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).