2-[2-(2-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanamine

C9H12N4S — CID 130162444

IUPAC2-[2-(2-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanamine
SMILESCn1nccc1-c1nc(CCN)cs1
InChIInChI=1S/C9H12N4S/c1-13-8(3-5-11-13)9-12-7(2-4-10)6-14-9/h3,5-6H,2,4,10H2,1H3
InChIKeyVAIUQYURWGRVNI-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.04
Rot. Bonds3

About 2-[2-(2-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanamine

2-[2-(2-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 130162444) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 2-[2-(2-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanamine
PubChem CID130162444
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name2-[2-(2-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanamine
SMILESCn1nccc1-c1nc(CCN)cs1
InChIInChI=1S/C9H12N4S/c1-13-8(3-5-11-13)9-12-7(2-4-10)6-14-9/h3,5-6H,2,4,10H2,1H3
InChIKeyVAIUQYURWGRVNI-UHFFFAOYSA-N
XLogP1.04
TPSA56.73 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 ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[2-(2-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanamine (CID 130162444) is 2-[2-(2-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-(2-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-(2-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanamine is Cn1nccc1-c1nc(CCN)cs1.
What is the InChIKey of 2-[2-(2-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is VAIUQYURWGRVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-13-8(3-5-11-13)9-12-7(2-4-10)6-14-9/h3,5-6H,2,4,10H2,1H3.
What are the key properties of 2-[2-(2-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanamine?
2-[2-(2-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 208.29 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 130162444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).