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

C6H6N4S — CID 87133949

IUPACN-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine
SMILESc1cc(Nc2nccs2)[nH]n1
InChIInChI=1S/C6H6N4S/c1-2-8-10-5(1)9-6-7-3-4-11-6/h1-4H,(H2,7,8,9,10)
InChIKeyXXPOIMMZFPSRJN-UHFFFAOYSA-N
MW166.21 g/mol
LogP1.61
Rot. Bonds2

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

N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine (PubChem CID 87133949) has the molecular formula C6H6N4S and a molecular weight of 166.21 g/mol. Its IUPAC name is N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine
PubChem CID87133949
Molecular FormulaC6H6N4S
Molecular Weight166.21 g/mol
Exact Mass166.03
IUPAC NameN-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine
SMILESc1cc(Nc2nccs2)[nH]n1
InChIInChI=1S/C6H6N4S/c1-2-8-10-5(1)9-6-7-3-4-11-6/h1-4H,(H2,7,8,9,10)
InChIKeyXXPOIMMZFPSRJN-UHFFFAOYSA-N
XLogP1.61
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine (CID 87133949) is N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine is c1cc(Nc2nccs2)[nH]n1.
What is the InChIKey of N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is XXPOIMMZFPSRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4S/c1-2-8-10-5(1)9-6-7-3-4-11-6/h1-4H,(H2,7,8,9,10).
What are the key properties of N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine?
N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 166.21 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 87133949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).