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

C11H9N5S — CID 42645487

IUPAC4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESc1ccc(Nc2nc(-c3cn[nH]c3)cs2)nc1
InChIInChI=1S/C11H9N5S/c1-2-4-12-10(3-1)16-11-15-9(7-17-11)8-5-13-14-6-8/h1-7H,(H,13,14)(H,12,15,16)
InChIKeyWIILZWDTWZFGNO-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.67
Rot. Bonds3

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

4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 42645487) has the molecular formula C11H9N5S and a molecular weight of 243.30 g/mol. Its IUPAC name is 4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID42645487
Molecular FormulaC11H9N5S
Molecular Weight243.30 g/mol
Exact Mass243.06
IUPAC Name4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESc1ccc(Nc2nc(-c3cn[nH]c3)cs2)nc1
InChIInChI=1S/C11H9N5S/c1-2-4-12-10(3-1)16-11-15-9(7-17-11)8-5-13-14-6-8/h1-7H,(H,13,14)(H,12,15,16)
InChIKeyWIILZWDTWZFGNO-UHFFFAOYSA-N
XLogP2.67
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine (CID 42645487) is 4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine is c1ccc(Nc2nc(-c3cn[nH]c3)cs2)nc1.
What is the InChIKey of 4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is WIILZWDTWZFGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5S/c1-2-4-12-10(3-1)16-11-15-9(7-17-11)8-5-13-14-6-8/h1-7H,(H,13,14)(H,12,15,16).
What are the key properties of 4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 243.30 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 42645487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).