N-methyl-1-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanamine;hydrochloride

C9H13ClN4S — CID 120558345

IUPACN-methyl-1-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanamine;hydrochloride
SMILESCNCc1nc(-c2cnn(C)c2)cs1.Cl
InChIInChI=1S/C9H12N4S.ClH/c1-10-4-9-12-8(6-14-9)7-3-11-13(2)5-7;/h3,5-6,10H,4H2,1-2H3;1H
InChIKeyCLCANKVNUGFDJB-UHFFFAOYSA-N
MW244.75 g/mol
LogP1.68
Rot. Bonds3

About N-methyl-1-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanamine;hydrochloride

N-methyl-1-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanamine;hydrochloride (PubChem CID 120558345) has the molecular formula C9H13ClN4S and a molecular weight of 244.75 g/mol. Its IUPAC name is N-methyl-1-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanamine;hydrochloride
PubChem CID120558345
Molecular FormulaC9H13ClN4S
Molecular Weight244.75 g/mol
Exact Mass244.05
IUPAC NameN-methyl-1-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanamine;hydrochloride
SMILESCNCc1nc(-c2cnn(C)c2)cs1.Cl
InChIInChI=1S/C9H12N4S.ClH/c1-10-4-9-12-8(6-14-9)7-3-11-13(2)5-7;/h3,5-6,10H,4H2,1-2H3;1H
InChIKeyCLCANKVNUGFDJB-UHFFFAOYSA-N
XLogP1.68
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanamine;hydrochloride 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-methyl-1-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanamine;hydrochloride?
The IUPAC name of N-methyl-1-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanamine;hydrochloride (CID 120558345) is N-methyl-1-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanamine;hydrochloride is CNCc1nc(-c2cnn(C)c2)cs1.Cl.
What is the InChIKey of N-methyl-1-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanamine;hydrochloride?
The InChIKey is CLCANKVNUGFDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S.ClH/c1-10-4-9-12-8(6-14-9)7-3-11-13(2)5-7;/h3,5-6,10H,4H2,1-2H3;1H.
What are the key properties of N-methyl-1-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanamine;hydrochloride?
N-methyl-1-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanamine;hydrochloride has a molecular weight of 244.75 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 120558345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).