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

C6H6N4S — CID 64993125

IUPAC5-(1,3-thiazol-2-yl)-1H-pyrazol-4-amine
SMILESNc1cn[nH]c1-c1nccs1
InChIInChI=1S/C6H6N4S/c7-4-3-9-10-5(4)6-8-1-2-11-6/h1-3H,7H2,(H,9,10)
InChIKeyPYZVIAANOFKCGJ-UHFFFAOYSA-N
MW166.21 g/mol
LogP1.12
Rot. Bonds1

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

5-(1,3-thiazol-2-yl)-1H-pyrazol-4-amine (PubChem CID 64993125) has the molecular formula C6H6N4S and a molecular weight of 166.21 g/mol. Its IUPAC name is 5-(1,3-thiazol-2-yl)-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-(1,3-thiazol-2-yl)-1H-pyrazol-4-amine
PubChem CID64993125
Molecular FormulaC6H6N4S
Molecular Weight166.21 g/mol
Exact Mass166.03
IUPAC Name5-(1,3-thiazol-2-yl)-1H-pyrazol-4-amine
SMILESNc1cn[nH]c1-c1nccs1
InChIInChI=1S/C6H6N4S/c7-4-3-9-10-5(4)6-8-1-2-11-6/h1-3H,7H2,(H,9,10)
InChIKeyPYZVIAANOFKCGJ-UHFFFAOYSA-N
XLogP1.12
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-pyrazol-3-yl)-1,3-thiazole
CID 3363559
2-(4-bromo-1H-pyrazol-3-yl)-1,3-thiazole
CID 64993224
2-(4-nitro-1H-pyrazol-3-yl)-1,3-thiazole
CID 64993272
2-(3-methylsulfanyl-1H-pyrazol-5-yl)-1,3-thiazole
CID 2740110
2-(1H-pyrazol-5-yl)-1,3-thiazol-4-ol
CID 123390332
1-butyl-5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-amine
CID 75442708
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 86776404
1-(5-methyl-1H-pyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 86808836
2-[(2S)-1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-2-yl]-1,3-thiazole
CID 164629468
5-(2-Thiazolyl)-3-(trifluoromethyl)-1H-pyrazole
CID 53406906
2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole
CID 177750629
Bis-thiazolylpyrazole
CID 177255972

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-thiazol-2-yl)-1H-pyrazol-4-amine?
The IUPAC name of 5-(1,3-thiazol-2-yl)-1H-pyrazol-4-amine (CID 64993125) is 5-(1,3-thiazol-2-yl)-1H-pyrazol-4-amine.
What is the SMILES notation for 5-(1,3-thiazol-2-yl)-1H-pyrazol-4-amine?
The canonical SMILES for 5-(1,3-thiazol-2-yl)-1H-pyrazol-4-amine is Nc1cn[nH]c1-c1nccs1.
What is the InChIKey of 5-(1,3-thiazol-2-yl)-1H-pyrazol-4-amine?
The InChIKey is PYZVIAANOFKCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4S/c7-4-3-9-10-5(4)6-8-1-2-11-6/h1-3H,7H2,(H,9,10).
What are the key properties of 5-(1,3-thiazol-2-yl)-1H-pyrazol-4-amine?
5-(1,3-thiazol-2-yl)-1H-pyrazol-4-amine has a molecular weight of 166.21 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-thiazol-2-yl)-1H-pyrazol-4-amine is sourced from PubChem (CID 64993125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).