4-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine

C7H8N4S — CID 19620854

IUPAC4-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine
SMILESCn1ccc(-c2csc(N)n2)n1
InChIInChI=1S/C7H8N4S/c1-11-3-2-5(10-11)6-4-12-7(8)9-6/h2-4H,1H3,(H2,8,9)
InChIKeyNTDWRVIUUPVACF-UHFFFAOYSA-N
MW180.24 g/mol
LogP1.13
Rot. Bonds1

About 4-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine

4-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine (PubChem CID 19620854) has the molecular formula C7H8N4S and a molecular weight of 180.24 g/mol. Its IUPAC name is 4-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine
PubChem CID19620854
Molecular FormulaC7H8N4S
Molecular Weight180.24 g/mol
Exact Mass180.05
IUPAC Name4-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine
SMILESCn1ccc(-c2csc(N)n2)n1
InChIInChI=1S/C7H8N4S/c1-11-3-2-5(10-11)6-4-12-7(8)9-6/h2-4H,1H3,(H2,8,9)
InChIKeyNTDWRVIUUPVACF-UHFFFAOYSA-N
XLogP1.13
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine (CID 19620854) is 4-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine is Cn1ccc(-c2csc(N)n2)n1.
What is the InChIKey of 4-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine?
The InChIKey is NTDWRVIUUPVACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S/c1-11-3-2-5(10-11)6-4-12-7(8)9-6/h2-4H,1H3,(H2,8,9).
What are the key properties of 4-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine?
4-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine has a molecular weight of 180.24 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 19620854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).