(2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine

C7H8N4S — CID 126697412

IUPAC(2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine
SMILESNCc1cnc(-n2cccn2)s1
InChIInChI=1S/C7H8N4S/c8-4-6-5-9-7(12-6)11-3-1-2-10-11/h1-3,5H,4,8H2
InChIKeyZFQJRLNVZAQEKX-UHFFFAOYSA-N
MW180.24 g/mol
LogP0.79
Rot. Bonds2

About (2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine

(2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine (PubChem CID 126697412) has the molecular formula C7H8N4S and a molecular weight of 180.24 g/mol. Its IUPAC name is (2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine
PubChem CID126697412
Molecular FormulaC7H8N4S
Molecular Weight180.24 g/mol
Exact Mass180.05
IUPAC Name(2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine
SMILESNCc1cnc(-n2cccn2)s1
InChIInChI=1S/C7H8N4S/c8-4-6-5-9-7(12-6)11-3-1-2-10-11/h1-3,5H,4,8H2
InChIKeyZFQJRLNVZAQEKX-UHFFFAOYSA-N
XLogP0.79
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of (2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine (CID 126697412) is (2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for (2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for (2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine is NCc1cnc(-n2cccn2)s1.
What is the InChIKey of (2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine?
The InChIKey is ZFQJRLNVZAQEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S/c8-4-6-5-9-7(12-6)11-3-1-2-10-11/h1-3,5H,4,8H2.
What are the key properties of (2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine?
(2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine has a molecular weight of 180.24 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 126697412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).