4-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)aniline

C15H13N3S — CID 116885261

IUPAC4-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)aniline
SMILESCc1nc(-c2ccccn2)sc1-c1ccc(N)cc1
InChIInChI=1S/C15H13N3S/c1-10-14(11-5-7-12(16)8-6-11)19-15(18-10)13-4-2-3-9-17-13/h2-9H,16H2,1H3
InChIKeyYHVVXOFKNJZAON-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.76
Rot. Bonds2

About 4-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)aniline

4-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)aniline (PubChem CID 116885261) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is 4-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)aniline.

Molecular Properties

Compound Name4-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)aniline
PubChem CID116885261
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC Name4-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)aniline
SMILESCc1nc(-c2ccccn2)sc1-c1ccc(N)cc1
InChIInChI=1S/C15H13N3S/c1-10-14(11-5-7-12(16)8-6-11)19-15(18-10)13-4-2-3-9-17-13/h2-9H,16H2,1H3
InChIKeyYHVVXOFKNJZAON-UHFFFAOYSA-N
XLogP3.76
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)aniline?
The IUPAC name of 4-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)aniline (CID 116885261) is 4-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)aniline.
What is the SMILES notation for 4-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)aniline?
The canonical SMILES for 4-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)aniline is Cc1nc(-c2ccccn2)sc1-c1ccc(N)cc1.
What is the InChIKey of 4-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)aniline?
The InChIKey is YHVVXOFKNJZAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c1-10-14(11-5-7-12(16)8-6-11)19-15(18-10)13-4-2-3-9-17-13/h2-9H,16H2,1H3.
What are the key properties of 4-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)aniline?
4-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)aniline has a molecular weight of 267.36 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)aniline is sourced from PubChem (CID 116885261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).