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

C15H13N3S — CID 116965446

IUPACN-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)aniline
SMILESCNc1ccc(-c2nc(-c3cccnc3)cs2)cc1
InChIInChI=1S/C15H13N3S/c1-16-13-6-4-11(5-7-13)15-18-14(10-19-15)12-3-2-8-17-9-12/h2-10,16H,1H3
InChIKeyFEZTUXCFAWHATB-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.91
Rot. Bonds3

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

N-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)aniline (PubChem CID 116965446) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is N-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound NameN-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)aniline
PubChem CID116965446
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC NameN-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)aniline
SMILESCNc1ccc(-c2nc(-c3cccnc3)cs2)cc1
InChIInChI=1S/C15H13N3S/c1-16-13-6-4-11(5-7-13)15-18-14(10-19-15)12-3-2-8-17-9-12/h2-10,16H,1H3
InChIKeyFEZTUXCFAWHATB-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzoate;hydrobromide
CID 18613847
4-(4-ethylphenyl)-2-pyridin-3-yl-1,3-thiazole
CID 849786
4-(4-fluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 592589
4-(3,4-difluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 2800024
methyl 3-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzoate
CID 80555016
4-methyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 108784245
4-pyridin-2-yl-2-pyridin-3-yl-1,3-thiazole
CID 119088487
N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-2-amine
CID 116867966
[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152435
4-N,4-N-dimethyl-1-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine;hydrobromide
CID 5344942
2-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione
CID 168518992
4-(4-methoxy-3-methylphenyl)-2-pyridin-3-yl-1,3-thiazole
CID 885223

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)aniline?
The IUPAC name of N-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)aniline (CID 116965446) is N-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)aniline.
What is the SMILES notation for N-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)aniline?
The canonical SMILES for N-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)aniline is CNc1ccc(-c2nc(-c3cccnc3)cs2)cc1.
What is the InChIKey of N-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)aniline?
The InChIKey is FEZTUXCFAWHATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c1-16-13-6-4-11(5-7-13)15-18-14(10-19-15)12-3-2-8-17-9-12/h2-10,16H,1H3.
What are the key properties of N-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)aniline?
N-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)aniline has a molecular weight of 267.36 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 116965446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).