2-ethyl-N-(1,3-thiazol-2-ylmethyl)pyrazol-3-amine

C9H12N4S — CID 131131813

IUPAC2-ethyl-N-(1,3-thiazol-2-ylmethyl)pyrazol-3-amine
SMILESCCn1nccc1NCc1nccs1
InChIInChI=1S/C9H12N4S/c1-2-13-8(3-4-12-13)11-7-9-10-5-6-14-9/h3-6,11H,2,7H2,1H3
InChIKeyNOMJQBALIZTMAU-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.97
Rot. Bonds4

About 2-ethyl-N-(1,3-thiazol-2-ylmethyl)pyrazol-3-amine

2-ethyl-N-(1,3-thiazol-2-ylmethyl)pyrazol-3-amine (PubChem CID 131131813) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 2-ethyl-N-(1,3-thiazol-2-ylmethyl)pyrazol-3-amine.

Molecular Properties

Compound Name2-ethyl-N-(1,3-thiazol-2-ylmethyl)pyrazol-3-amine
PubChem CID131131813
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name2-ethyl-N-(1,3-thiazol-2-ylmethyl)pyrazol-3-amine
SMILESCCn1nccc1NCc1nccs1
InChIInChI=1S/C9H12N4S/c1-2-13-8(3-4-12-13)11-7-9-10-5-6-14-9/h3-6,11H,2,7H2,1H3
InChIKeyNOMJQBALIZTMAU-UHFFFAOYSA-N
XLogP1.97
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(1,3-thiazol-2-ylmethyl)pyrazol-3-amine?
The IUPAC name of 2-ethyl-N-(1,3-thiazol-2-ylmethyl)pyrazol-3-amine (CID 131131813) is 2-ethyl-N-(1,3-thiazol-2-ylmethyl)pyrazol-3-amine.
What is the SMILES notation for 2-ethyl-N-(1,3-thiazol-2-ylmethyl)pyrazol-3-amine?
The canonical SMILES for 2-ethyl-N-(1,3-thiazol-2-ylmethyl)pyrazol-3-amine is CCn1nccc1NCc1nccs1.
What is the InChIKey of 2-ethyl-N-(1,3-thiazol-2-ylmethyl)pyrazol-3-amine?
The InChIKey is NOMJQBALIZTMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-2-13-8(3-4-12-13)11-7-9-10-5-6-14-9/h3-6,11H,2,7H2,1H3.
What are the key properties of 2-ethyl-N-(1,3-thiazol-2-ylmethyl)pyrazol-3-amine?
2-ethyl-N-(1,3-thiazol-2-ylmethyl)pyrazol-3-amine has a molecular weight of 208.29 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(1,3-thiazol-2-ylmethyl)pyrazol-3-amine is sourced from PubChem (CID 131131813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).