2-methyl-N-[[4-(pyrazol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine

C12H18N4S — CID 55073122

IUPAC2-methyl-N-[[4-(pyrazol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1nc(Cn2cccn2)cs1
InChIInChI=1S/C12H18N4S/c1-12(2,3)13-7-11-15-10(9-17-11)8-16-6-4-5-14-16/h4-6,9,13H,7-8H2,1-3H3
InChIKeyLMJQLIDSUFRYCR-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.28
Rot. Bonds4

About 2-methyl-N-[[4-(pyrazol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine

2-methyl-N-[[4-(pyrazol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine (PubChem CID 55073122) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-methyl-N-[[4-(pyrazol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(pyrazol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
PubChem CID55073122
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name2-methyl-N-[[4-(pyrazol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1nc(Cn2cccn2)cs1
InChIInChI=1S/C12H18N4S/c1-12(2,3)13-7-11-15-10(9-17-11)8-16-6-4-5-14-16/h4-6,9,13H,7-8H2,1-3H3
InChIKeyLMJQLIDSUFRYCR-UHFFFAOYSA-N
XLogP2.28
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[[4-(pyrazol-1-ylmethyl)-1,3-thiazol-2-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 2-methyl-N-[[4-(pyrazol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-(pyrazol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine (CID 55073122) is 2-methyl-N-[[4-(pyrazol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-(pyrazol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-(pyrazol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine is CC(C)(C)NCc1nc(Cn2cccn2)cs1.
What is the InChIKey of 2-methyl-N-[[4-(pyrazol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
The InChIKey is LMJQLIDSUFRYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-12(2,3)13-7-11-15-10(9-17-11)8-16-6-4-5-14-16/h4-6,9,13H,7-8H2,1-3H3.
What are the key properties of 2-methyl-N-[[4-(pyrazol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[4-(pyrazol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine has a molecular weight of 250.37 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(pyrazol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 55073122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).