5-methyl-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine

C12H11N5S — CID 25138329

IUPAC5-methyl-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCc1sc(Nc2ccccn2)nc1-c1cn[nH]c1
InChIInChI=1S/C12H11N5S/c1-8-11(9-6-14-15-7-9)17-12(18-8)16-10-4-2-3-5-13-10/h2-7H,1H3,(H,14,15)(H,13,16,17)
InChIKeyGNTYTRMYRRTNNR-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.98
Rot. Bonds3

About 5-methyl-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine

5-methyl-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 25138329) has the molecular formula C12H11N5S and a molecular weight of 257.32 g/mol. Its IUPAC name is 5-methyl-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID25138329
Molecular FormulaC12H11N5S
Molecular Weight257.32 g/mol
Exact Mass257.07
IUPAC Name5-methyl-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCc1sc(Nc2ccccn2)nc1-c1cn[nH]c1
InChIInChI=1S/C12H11N5S/c1-8-11(9-6-14-15-7-9)17-12(18-8)16-10-4-2-3-5-13-10/h2-7H,1H3,(H,14,15)(H,13,16,17)
InChIKeyGNTYTRMYRRTNNR-UHFFFAOYSA-N
XLogP2.98
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine (CID 25138329) is 5-methyl-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine is Cc1sc(Nc2ccccn2)nc1-c1cn[nH]c1.
What is the InChIKey of 5-methyl-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is GNTYTRMYRRTNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5S/c1-8-11(9-6-14-15-7-9)17-12(18-8)16-10-4-2-3-5-13-10/h2-7H,1H3,(H,14,15)(H,13,16,17).
What are the key properties of 5-methyl-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
5-methyl-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 257.32 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 25138329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).