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

C9H12N4S — CID 71971940

IUPAC1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine
SMILESCc1csc(CNc2ccn(C)n2)n1
InChIInChI=1S/C9H12N4S/c1-7-6-14-9(11-7)5-10-8-3-4-13(2)12-8/h3-4,6H,5H2,1-2H3,(H,10,12)
InChIKeyBMBSODDEWVSPQU-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.80
Rot. Bonds3

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

1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine (PubChem CID 71971940) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine
PubChem CID71971940
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine
SMILESCc1csc(CNc2ccn(C)n2)n1
InChIInChI=1S/C9H12N4S/c1-7-6-14-9(11-7)5-10-8-3-4-13(2)12-8/h3-4,6H,5H2,1-2H3,(H,10,12)
InChIKeyBMBSODDEWVSPQU-UHFFFAOYSA-N
XLogP1.80
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine?
The IUPAC name of 1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine (CID 71971940) is 1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine is Cc1csc(CNc2ccn(C)n2)n1.
What is the InChIKey of 1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine?
The InChIKey is BMBSODDEWVSPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-7-6-14-9(11-7)5-10-8-3-4-13(2)12-8/h3-4,6H,5H2,1-2H3,(H,10,12).
What are the key properties of 1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine?
1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine has a molecular weight of 208.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 71971940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).