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

C19H17N5S — CID 56659896

IUPACN-(3-methylphenyl)-4-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccnc(-c4cnn(C)c4)c3)cs2)c1
InChIInChI=1S/C19H17N5S/c1-13-4-3-5-16(8-13)22-19-23-18(12-25-19)14-6-7-20-17(9-14)15-10-21-24(2)11-15/h3-12H,1-2H3,(H,22,23)
InChIKeyZUXWGYQJHBTXEJ-UHFFFAOYSA-N
MW347.45 g/mol
LogP4.66
Rot. Bonds4

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

N-(3-methylphenyl)-4-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 56659896) has the molecular formula C19H17N5S and a molecular weight of 347.45 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1,3-thiazol-2-amine
PubChem CID56659896
Molecular FormulaC19H17N5S
Molecular Weight347.45 g/mol
Exact Mass347.12
IUPAC NameN-(3-methylphenyl)-4-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccnc(-c4cnn(C)c4)c3)cs2)c1
InChIInChI=1S/C19H17N5S/c1-13-4-3-5-16(8-13)22-19-23-18(12-25-19)14-6-7-20-17(9-14)15-10-21-24(2)11-15/h3-12H,1-2H3,(H,22,23)
InChIKeyZUXWGYQJHBTXEJ-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 N-(3-methylphenyl)-4-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(3-methylphenyl)-4-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1,3-thiazol-2-amine (CID 56659896) is N-(3-methylphenyl)-4-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-methylphenyl)-4-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-methylphenyl)-4-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1,3-thiazol-2-amine is Cc1cccc(Nc2nc(-c3ccnc(-c4cnn(C)c4)c3)cs2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is ZUXWGYQJHBTXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5S/c1-13-4-3-5-16(8-13)22-19-23-18(12-25-19)14-6-7-20-17(9-14)15-10-21-24(2)11-15/h3-12H,1-2H3,(H,22,23).
What are the key properties of N-(3-methylphenyl)-4-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1,3-thiazol-2-amine?
N-(3-methylphenyl)-4-[2-(1-methylpyrazol-4-yl)-4-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 N-(3-methylphenyl)-4-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 56659896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).