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

C12H11N5S — CID 42644808

IUPAC4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCc1[nH]ncc1-c1csc(Nc2ccccn2)n1
InChIInChI=1S/C12H11N5S/c1-8-9(6-14-17-8)10-7-18-12(15-10)16-11-4-2-3-5-13-11/h2-7H,1H3,(H,14,17)(H,13,15,16)
InChIKeyYDOWIMXOKOTLRG-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.98
Rot. Bonds3

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

4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 42644808) has the molecular formula C12H11N5S and a molecular weight of 257.32 g/mol. Its IUPAC name is 4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID42644808
Molecular FormulaC12H11N5S
Molecular Weight257.32 g/mol
Exact Mass257.07
IUPAC Name4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCc1[nH]ncc1-c1csc(Nc2ccccn2)n1
InChIInChI=1S/C12H11N5S/c1-8-9(6-14-17-8)10-7-18-12(15-10)16-11-4-2-3-5-13-11/h2-7H,1H3,(H,14,17)(H,13,15,16)
InChIKeyYDOWIMXOKOTLRG-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 4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine (CID 42644808) is 4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine is Cc1[nH]ncc1-c1csc(Nc2ccccn2)n1.
What is the InChIKey of 4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is YDOWIMXOKOTLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5S/c1-8-9(6-14-17-8)10-7-18-12(15-10)16-11-4-2-3-5-13-11/h2-7H,1H3,(H,14,17)(H,13,15,16).
What are the key properties of 4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
4-(5-methyl-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 4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 42644808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).