N-[(1-phenylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine

C13H12N4S — CID 113224886

IUPACN-[(1-phenylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine
SMILESc1ccc(-n2ccc(CNc3nccs3)n2)cc1
InChIInChI=1S/C13H12N4S/c1-2-4-12(5-3-1)17-8-6-11(16-17)10-15-13-14-7-9-18-13/h1-9H,10H2,(H,14,15)
InChIKeyWWLGQLWBAOIENC-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.94
Rot. Bonds4

About N-[(1-phenylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine

N-[(1-phenylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 113224886) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-[(1-phenylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(1-phenylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine
PubChem CID113224886
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC NameN-[(1-phenylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine
SMILESc1ccc(-n2ccc(CNc3nccs3)n2)cc1
InChIInChI=1S/C13H12N4S/c1-2-4-12(5-3-1)17-8-6-11(16-17)10-15-13-14-7-9-18-13/h1-9H,10H2,(H,14,15)
InChIKeyWWLGQLWBAOIENC-UHFFFAOYSA-N
XLogP2.94
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(1-phenylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine (CID 113224886) is N-[(1-phenylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(1-phenylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(1-phenylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine is c1ccc(-n2ccc(CNc3nccs3)n2)cc1.
What is the InChIKey of N-[(1-phenylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is WWLGQLWBAOIENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-2-4-12(5-3-1)17-8-6-11(16-17)10-15-13-14-7-9-18-13/h1-9H,10H2,(H,14,15).
What are the key properties of N-[(1-phenylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine?
N-[(1-phenylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 256.33 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 113224886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).