2-ethylsulfanyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzamide

C19H19N3OS2 — CID 121122233

IUPAC2-ethylsulfanyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCCSc1ccccc1C(=O)NCc1sc(-c2cccnc2)nc1C
InChIInChI=1S/C19H19N3OS2/c1-3-24-16-9-5-4-8-15(16)18(23)21-12-17-13(2)22-19(25-17)14-7-6-10-20-11-14/h4-11H,3,12H2,1-2H3,(H,21,23)
InChIKeyQTPJSFAPVAWMIZ-UHFFFAOYSA-N
MW369.52 g/mol
LogP4.56
Rot. Bonds6

About 2-ethylsulfanyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzamide

2-ethylsulfanyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzamide (PubChem CID 121122233) has the molecular formula C19H19N3OS2 and a molecular weight of 369.52 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzamide
PubChem CID121122233
Molecular FormulaC19H19N3OS2
Molecular Weight369.52 g/mol
Exact Mass369.10
IUPAC Name2-ethylsulfanyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCCSc1ccccc1C(=O)NCc1sc(-c2cccnc2)nc1C
InChIInChI=1S/C19H19N3OS2/c1-3-24-16-9-5-4-8-15(16)18(23)21-12-17-13(2)22-19(25-17)14-7-6-10-20-11-14/h4-11H,3,12H2,1-2H3,(H,21,23)
InChIKeyQTPJSFAPVAWMIZ-UHFFFAOYSA-N
XLogP4.56
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.52
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzamide
CID 121122024
2,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide
CID 121122150
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-3-phenylsulfanylpropanamide
CID 121122040
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-2-phenyltriazole-4-carboxamide
CID 121122163
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-4-sulfamoylbenzamide
CID 121122034
1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(pyridin-3-ylmethyl)urea
CID 56824094
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 121122153
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-1H-indole-6-carboxamide
CID 121122278
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide
CID 67080034
1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one
CID 82289672
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 62404435
5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 90546458

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzamide?
The IUPAC name of 2-ethylsulfanyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzamide (CID 121122233) is 2-ethylsulfanyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzamide?
The canonical SMILES for 2-ethylsulfanyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzamide is CCSc1ccccc1C(=O)NCc1sc(-c2cccnc2)nc1C.
What is the InChIKey of 2-ethylsulfanyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzamide?
The InChIKey is QTPJSFAPVAWMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS2/c1-3-24-16-9-5-4-8-15(16)18(23)21-12-17-13(2)22-19(25-17)14-7-6-10-20-11-14/h4-11H,3,12H2,1-2H3,(H,21,23).
What are the key properties of 2-ethylsulfanyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzamide?
2-ethylsulfanyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzamide has a molecular weight of 369.52 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 121122233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).