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

C16H15N3OS — CID 134907995

IUPAC4-(4-methoxyphenyl)-3-methyl-5-pyridin-3-yl-1,3-thiazol-2-imine
SMILES[H]/N=c1\sc(-c2cccnc2)c(-c2ccc(OC)cc2)n1C
InChIInChI=1S/C16H15N3OS/c1-19-14(11-5-7-13(20-2)8-6-11)15(21-16(19)17)12-4-3-9-18-10-12/h3-10,17H,1-2H3/b17-16-
InChIKeyTXGSKDHVJXENJZ-MSUUIHNZSA-N
MW297.38 g/mol
LogP3.30
Rot. Bonds3

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

4-(4-methoxyphenyl)-3-methyl-5-pyridin-3-yl-1,3-thiazol-2-imine (PubChem CID 134907995) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-methyl-5-pyridin-3-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-methyl-5-pyridin-3-yl-1,3-thiazol-2-imine
PubChem CID134907995
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name4-(4-methoxyphenyl)-3-methyl-5-pyridin-3-yl-1,3-thiazol-2-imine
SMILES[H]/N=c1\sc(-c2cccnc2)c(-c2ccc(OC)cc2)n1C
InChIInChI=1S/C16H15N3OS/c1-19-14(11-5-7-13(20-2)8-6-11)15(21-16(19)17)12-4-3-9-18-10-12/h3-10,17H,1-2H3/b17-16-
InChIKeyTXGSKDHVJXENJZ-MSUUIHNZSA-N
XLogP3.30
TPSA50.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3-methyl-5-pyridin-3-yl-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-methoxyphenyl)-3-methyl-5-pyridin-3-yl-1,3-thiazol-2-imine (CID 134907995) is 4-(4-methoxyphenyl)-3-methyl-5-pyridin-3-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-methyl-5-pyridin-3-yl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-methoxyphenyl)-3-methyl-5-pyridin-3-yl-1,3-thiazol-2-imine is [H]/N=c1\sc(-c2cccnc2)c(-c2ccc(OC)cc2)n1C.
What is the InChIKey of 4-(4-methoxyphenyl)-3-methyl-5-pyridin-3-yl-1,3-thiazol-2-imine?
The InChIKey is TXGSKDHVJXENJZ-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-19-14(11-5-7-13(20-2)8-6-11)15(21-16(19)17)12-4-3-9-18-10-12/h3-10,17H,1-2H3/b17-16-.
What are the key properties of 4-(4-methoxyphenyl)-3-methyl-5-pyridin-3-yl-1,3-thiazol-2-imine?
4-(4-methoxyphenyl)-3-methyl-5-pyridin-3-yl-1,3-thiazol-2-imine has a molecular weight of 297.38 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-methyl-5-pyridin-3-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 134907995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).