N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-methylsulfanylpropanamide

C15H18N2OS3 — CID 47093016

IUPACN-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-methylsulfanylpropanamide
SMILESCSC(C)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1C
InChIInChI=1S/C15H18N2OS3/c1-9-7-12(21-15-16-10(2)8-20-15)5-6-13(9)17-14(18)11(3)19-4/h5-8,11H,1-4H3,(H,17,18)
InChIKeyYKGDLDLTQPUKIA-UHFFFAOYSA-N
MW338.52 g/mol
LogP4.60
Rot. Bonds5

About N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-methylsulfanylpropanamide

N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-methylsulfanylpropanamide (PubChem CID 47093016) has the molecular formula C15H18N2OS3 and a molecular weight of 338.52 g/mol. Its IUPAC name is N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-methylsulfanylpropanamide
PubChem CID47093016
Molecular FormulaC15H18N2OS3
Molecular Weight338.52 g/mol
Exact Mass338.06
IUPAC NameN-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-methylsulfanylpropanamide
SMILESCSC(C)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1C
InChIInChI=1S/C15H18N2OS3/c1-9-7-12(21-15-16-10(2)8-20-15)5-6-13(9)17-14(18)11(3)19-4/h5-8,11H,1-4H3,(H,17,18)
InChIKeyYKGDLDLTQPUKIA-UHFFFAOYSA-N
XLogP4.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]pentanamide;hydrochloride
CID 120561971
1-[(2R)-2-cyanopropyl]-3-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]urea
CID 97068214
N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119313836
N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-5-methylsulfonylfuran-2-carboxamide
CID 86944554
N-methyl-4-[[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]sulfamoyl]benzamide
CID 47093105
N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119766849
2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]butanamide
CID 47255295
N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-thiomorpholin-3-ylacetamide
CID 119938453
N-(4-bromo-2-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 84876363
N-[[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine
CID 63806520
2-methyl-3-(methylamino)-N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propanamide;hydrochloride
CID 119766293
(2R)-N-(2-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 2086791

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-methylsulfanylpropanamide?
The IUPAC name of N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-methylsulfanylpropanamide (CID 47093016) is N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-methylsulfanylpropanamide.
What is the SMILES notation for N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-methylsulfanylpropanamide?
The canonical SMILES for N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-methylsulfanylpropanamide is CSC(C)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1C.
What is the InChIKey of N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-methylsulfanylpropanamide?
The InChIKey is YKGDLDLTQPUKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS3/c1-9-7-12(21-15-16-10(2)8-20-15)5-6-13(9)17-14(18)11(3)19-4/h5-8,11H,1-4H3,(H,17,18).
What are the key properties of N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-methylsulfanylpropanamide?
N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-methylsulfanylpropanamide has a molecular weight of 338.52 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-methylsulfanylpropanamide is sourced from PubChem (CID 47093016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).