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

C9H12N4S — CID 65197733

IUPAC[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methanamine
SMILESCc1nc(-c2ccn(C)n2)sc1CN
InChIInChI=1S/C9H12N4S/c1-6-8(5-10)14-9(11-6)7-3-4-13(2)12-7/h3-4H,5,10H2,1-2H3
InChIKeyYAEBIBTZZYBDMS-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.31
Rot. Bonds2

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

[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 65197733) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is [4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID65197733
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methanamine
SMILESCc1nc(-c2ccn(C)n2)sc1CN
InChIInChI=1S/C9H12N4S/c1-6-8(5-10)14-9(11-6)7-3-4-13(2)12-7/h3-4H,5,10H2,1-2H3
InChIKeyYAEBIBTZZYBDMS-UHFFFAOYSA-N
XLogP1.31
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methanamine (CID 65197733) is [4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methanamine is Cc1nc(-c2ccn(C)n2)sc1CN.
What is the InChIKey of [4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is YAEBIBTZZYBDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-6-8(5-10)14-9(11-6)7-3-4-13(2)12-7/h3-4H,5,10H2,1-2H3.
What are the key properties of [4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methanamine?
[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 208.29 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 65197733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).