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

C19H19N3OS2 — CID 121122040

IUPACN-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-3-phenylsulfanylpropanamide
SMILESCc1nc(-c2cccnc2)sc1CNC(=O)CCSc1ccccc1
InChIInChI=1S/C19H19N3OS2/c1-14-17(25-19(22-14)15-6-5-10-20-12-15)13-21-18(23)9-11-24-16-7-3-2-4-8-16/h2-8,10,12H,9,11,13H2,1H3,(H,21,23)
InChIKeyMIIDYVHNUKEKCS-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.31
Rot. Bonds7

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

N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-3-phenylsulfanylpropanamide (PubChem CID 121122040) has the molecular formula C19H19N3OS2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-3-phenylsulfanylpropanamide
PubChem CID121122040
Molecular FormulaC19H19N3OS2
Molecular Weight369.51 g/mol
Exact Mass369.10
IUPAC NameN-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-3-phenylsulfanylpropanamide
SMILESCc1nc(-c2cccnc2)sc1CNC(=O)CCSc1ccccc1
InChIInChI=1S/C19H19N3OS2/c1-14-17(25-19(22-14)15-6-5-10-20-12-15)13-21-18(23)9-11-24-16-7-3-2-4-8-16/h2-8,10,12H,9,11,13H2,1H3,(H,21,23)
InChIKeyMIIDYVHNUKEKCS-UHFFFAOYSA-N
XLogP4.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(pyridin-3-ylmethyl)urea
CID 56824094
2-ethylsulfanyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzamide
CID 121122233
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-1H-indole-6-carboxamide
CID 121122278
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]-5-oxopyrrolidine-2-carboxamide
CID 121122169
2-(methylamino)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide;hydrochloride
CID 119772200
2-(2,4-difluorophenoxy)-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]acetamide
CID 121122099
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]acetamide
CID 121122269
1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one
CID 82289672
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-methyl-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-phenylacetamide
CID 110329097

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-3-phenylsulfanylpropanamide (CID 121122040) is N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-3-phenylsulfanylpropanamide is Cc1nc(-c2cccnc2)sc1CNC(=O)CCSc1ccccc1.
What is the InChIKey of N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-3-phenylsulfanylpropanamide?
The InChIKey is MIIDYVHNUKEKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS2/c1-14-17(25-19(22-14)15-6-5-10-20-12-15)13-21-18(23)9-11-24-16-7-3-2-4-8-16/h2-8,10,12H,9,11,13H2,1H3,(H,21,23).
What are the key properties of N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-3-phenylsulfanylpropanamide?
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-3-phenylsulfanylpropanamide has a molecular weight of 369.51 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 121122040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).