[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methanamine

C11H16N4S — CID 43647514

IUPAC[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methanamine
SMILESCc1nc(Cn2nc(C)c(CN)c2C)cs1
InChIInChI=1S/C11H16N4S/c1-7-11(4-12)8(2)15(14-7)5-10-6-16-9(3)13-10/h6H,4-5,12H2,1-3H3
InChIKeyBJXAZZRJRAZGQS-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.77
Rot. Bonds3

About [3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methanamine

[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methanamine (PubChem CID 43647514) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is [3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methanamine
PubChem CID43647514
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methanamine
SMILESCc1nc(Cn2nc(C)c(CN)c2C)cs1
InChIInChI=1S/C11H16N4S/c1-7-11(4-12)8(2)15(14-7)5-10-6-16-9(3)13-10/h6H,4-5,12H2,1-3H3
InChIKeyBJXAZZRJRAZGQS-UHFFFAOYSA-N
XLogP1.77
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-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 [3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methanamine?
The IUPAC name of [3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methanamine (CID 43647514) is [3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methanamine.
What is the SMILES notation for [3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methanamine?
The canonical SMILES for [3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methanamine is Cc1nc(Cn2nc(C)c(CN)c2C)cs1.
What is the InChIKey of [3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methanamine?
The InChIKey is BJXAZZRJRAZGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-7-11(4-12)8(2)15(14-7)5-10-6-16-9(3)13-10/h6H,4-5,12H2,1-3H3.
What are the key properties of [3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methanamine?
[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methanamine has a molecular weight of 236.34 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methanamine is sourced from PubChem (CID 43647514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).