[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]methanamine

C15H13N3S — CID 63152435

IUPAC[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]methanamine
SMILESNCc1cccc(-c2csc(-c3cccnc3)n2)c1
InChIInChI=1S/C15H13N3S/c16-8-11-3-1-4-12(7-11)14-10-19-15(18-14)13-5-2-6-17-9-13/h1-7,9-10H,8,16H2
InChIKeyDNCUFTKVUSGWIJ-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.33
Rot. Bonds3

About [3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]methanamine

[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]methanamine (PubChem CID 63152435) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is [3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]methanamine
PubChem CID63152435
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC Name[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]methanamine
SMILESNCc1cccc(-c2csc(-c3cccnc3)n2)c1
InChIInChI=1S/C15H13N3S/c16-8-11-3-1-4-12(7-11)14-10-19-15(18-14)13-5-2-6-17-9-13/h1-7,9-10H,8,16H2
InChIKeyDNCUFTKVUSGWIJ-UHFFFAOYSA-N
XLogP3.33
TPSA51.80 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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983736
[3-[2-(3-methyl-2-pyridinyl)-1,3-thiazol-4-yl]phenyl]methanamine
CID 63152579
4-(4-ethylphenyl)-2-pyridin-3-yl-1,3-thiazole
CID 849786
4-(3,4-difluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 2800024
[3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanamine
CID 63152203
[3-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152526
2-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione
CID 168518992
4-(4-fluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 592589
1-ethyl-3-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]thiourea
CID 108784263
[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983781
4-pyridin-2-yl-2-pyridin-3-yl-1,3-thiazole
CID 119088487
[3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983740

Frequently Asked Questions

What is the IUPAC name of [3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]methanamine?
The IUPAC name of [3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]methanamine (CID 63152435) is [3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]methanamine.
What is the SMILES notation for [3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]methanamine?
The canonical SMILES for [3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]methanamine is NCc1cccc(-c2csc(-c3cccnc3)n2)c1.
What is the InChIKey of [3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]methanamine?
The InChIKey is DNCUFTKVUSGWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c16-8-11-3-1-4-12(7-11)14-10-19-15(18-14)13-5-2-6-17-9-13/h1-7,9-10H,8,16H2.
What are the key properties of [3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]methanamine?
[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]methanamine has a molecular weight of 267.36 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]methanamine is sourced from PubChem (CID 63152435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).