4-[4-(2-methylpyrazol-3-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine

C19H17N5S — CID 71615269

IUPAC4-[4-(2-methylpyrazol-3-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccc(-c4ccnn4C)cc3)cs2)n1
InChIInChI=1S/C19H17N5S/c1-13-4-3-5-18(21-13)23-19-22-16(12-25-19)14-6-8-15(9-7-14)17-10-11-20-24(17)2/h3-12H,1-2H3,(H,21,22,23)
InChIKeyITHZJYMKRORMRL-UHFFFAOYSA-N
MW347.45 g/mol
LogP4.66
Rot. Bonds4

About 4-[4-(2-methylpyrazol-3-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine

4-[4-(2-methylpyrazol-3-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 71615269) has the molecular formula C19H17N5S and a molecular weight of 347.45 g/mol. Its IUPAC name is 4-[4-(2-methylpyrazol-3-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-(2-methylpyrazol-3-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID71615269
Molecular FormulaC19H17N5S
Molecular Weight347.45 g/mol
Exact Mass347.12
IUPAC Name4-[4-(2-methylpyrazol-3-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccc(-c4ccnn4C)cc3)cs2)n1
InChIInChI=1S/C19H17N5S/c1-13-4-3-5-18(21-13)23-19-22-16(12-25-19)14-6-8-15(9-7-14)17-10-11-20-24(17)2/h3-12H,1-2H3,(H,21,22,23)
InChIKeyITHZJYMKRORMRL-UHFFFAOYSA-N
XLogP4.66
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpyrazol-3-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-(2-methylpyrazol-3-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine (CID 71615269) is 4-[4-(2-methylpyrazol-3-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-(2-methylpyrazol-3-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-(2-methylpyrazol-3-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine is Cc1cccc(Nc2nc(-c3ccc(-c4ccnn4C)cc3)cs2)n1.
What is the InChIKey of 4-[4-(2-methylpyrazol-3-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is ITHZJYMKRORMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5S/c1-13-4-3-5-18(21-13)23-19-22-16(12-25-19)14-6-8-15(9-7-14)17-10-11-20-24(17)2/h3-12H,1-2H3,(H,21,22,23).
What are the key properties of 4-[4-(2-methylpyrazol-3-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
4-[4-(2-methylpyrazol-3-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 347.45 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpyrazol-3-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 71615269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).