5-(2-methylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine

C15H13N3S — CID 18506878

IUPAC5-(2-methylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCc1ccccc1-c1cnc(Nc2ccccn2)s1
InChIInChI=1S/C15H13N3S/c1-11-6-2-3-7-12(11)13-10-17-15(19-13)18-14-8-4-5-9-16-14/h2-10H,1H3,(H,16,17,18)
InChIKeyYADIPTIBGYOCHK-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.26
Rot. Bonds3

About 5-(2-methylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine

5-(2-methylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 18506878) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is 5-(2-methylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-methylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID18506878
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC Name5-(2-methylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCc1ccccc1-c1cnc(Nc2ccccn2)s1
InChIInChI=1S/C15H13N3S/c1-11-6-2-3-7-12(11)13-10-17-15(19-13)18-14-8-4-5-9-16-14/h2-10H,1H3,(H,16,17,18)
InChIKeyYADIPTIBGYOCHK-UHFFFAOYSA-N
XLogP4.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-methylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine (CID 18506878) is 5-(2-methylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-methylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-methylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine is Cc1ccccc1-c1cnc(Nc2ccccn2)s1.
What is the InChIKey of 5-(2-methylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is YADIPTIBGYOCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c1-11-6-2-3-7-12(11)13-10-17-15(19-13)18-14-8-4-5-9-16-14/h2-10H,1H3,(H,16,17,18).
What are the key properties of 5-(2-methylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
5-(2-methylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 267.36 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 18506878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).