N-(3-methylphenyl)-4-[2-(1H-pyrazol-5-yl)-4-pyridinyl]-1,3-thiazol-2-amine

C18H15N5S — CID 53248912

IUPACN-(3-methylphenyl)-4-[2-(1H-pyrazol-5-yl)-4-pyridinyl]-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccnc(-c4ccn[nH]4)c3)cs2)c1
InChIInChI=1S/C18H15N5S/c1-12-3-2-4-14(9-12)21-18-22-17(11-24-18)13-5-7-19-16(10-13)15-6-8-20-23-15/h2-11H,1H3,(H,20,23)(H,21,22)
InChIKeyRBUAENPPZQXBIZ-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.65
Rot. Bonds4

About N-(3-methylphenyl)-4-[2-(1H-pyrazol-5-yl)-4-pyridinyl]-1,3-thiazol-2-amine

N-(3-methylphenyl)-4-[2-(1H-pyrazol-5-yl)-4-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 53248912) has the molecular formula C18H15N5S and a molecular weight of 333.42 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-[2-(1H-pyrazol-5-yl)-4-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-[2-(1H-pyrazol-5-yl)-4-pyridinyl]-1,3-thiazol-2-amine
PubChem CID53248912
Molecular FormulaC18H15N5S
Molecular Weight333.42 g/mol
Exact Mass333.10
IUPAC NameN-(3-methylphenyl)-4-[2-(1H-pyrazol-5-yl)-4-pyridinyl]-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccnc(-c4ccn[nH]4)c3)cs2)c1
InChIInChI=1S/C18H15N5S/c1-12-3-2-4-14(9-12)21-18-22-17(11-24-18)13-5-7-19-16(10-13)15-6-8-20-23-15/h2-11H,1H3,(H,20,23)(H,21,22)
InChIKeyRBUAENPPZQXBIZ-UHFFFAOYSA-N
XLogP4.65
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-[2-(1H-pyrazol-5-yl)-4-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(3-methylphenyl)-4-[2-(1H-pyrazol-5-yl)-4-pyridinyl]-1,3-thiazol-2-amine (CID 53248912) is N-(3-methylphenyl)-4-[2-(1H-pyrazol-5-yl)-4-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-methylphenyl)-4-[2-(1H-pyrazol-5-yl)-4-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-methylphenyl)-4-[2-(1H-pyrazol-5-yl)-4-pyridinyl]-1,3-thiazol-2-amine is Cc1cccc(Nc2nc(-c3ccnc(-c4ccn[nH]4)c3)cs2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-[2-(1H-pyrazol-5-yl)-4-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is RBUAENPPZQXBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5S/c1-12-3-2-4-14(9-12)21-18-22-17(11-24-18)13-5-7-19-16(10-13)15-6-8-20-23-15/h2-11H,1H3,(H,20,23)(H,21,22).
What are the key properties of N-(3-methylphenyl)-4-[2-(1H-pyrazol-5-yl)-4-pyridinyl]-1,3-thiazol-2-amine?
N-(3-methylphenyl)-4-[2-(1H-pyrazol-5-yl)-4-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 333.42 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-[2-(1H-pyrazol-5-yl)-4-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 53248912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).