N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide

C20H20N2O2S2 — CID 18586091

IUPACN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1
InChIInChI=1S/C20H20N2O2S2/c1-13-4-5-15(10-14(13)2)18-11-26-20(21-18)22-19(23)12-25-17-8-6-16(24-3)7-9-17/h4-11H,12H2,1-3H3,(H,21,22,23)
InChIKeyMUZLNHTUIVHYQN-UHFFFAOYSA-N
MW384.53 g/mol
LogP5.17
Rot. Bonds6

About N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide

N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide (PubChem CID 18586091) has the molecular formula C20H20N2O2S2 and a molecular weight of 384.53 g/mol. Its IUPAC name is N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide
PubChem CID18586091
Molecular FormulaC20H20N2O2S2
Molecular Weight384.53 g/mol
Exact Mass384.10
IUPAC NameN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1
InChIInChI=1S/C20H20N2O2S2/c1-13-4-5-15(10-14(13)2)18-11-26-20(21-18)22-19(23)12-25-17-8-6-16(24-3)7-9-17/h4-11H,12H2,1-3H3,(H,21,22,23)
InChIKeyMUZLNHTUIVHYQN-UHFFFAOYSA-N
XLogP5.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.53
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 23765637
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
CID 7254533
2-(2,4-dimethoxyphenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 16911637
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 24568443
N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
CID 41151826
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)sulfanylbutanamide
CID 41086080
N-[4-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
CID 19711981
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 7915494
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 21167941
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)sulfanylbutanamide
CID 18585602
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide
CID 16562235
N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)sulfanylpropanamide
CID 7545224

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide (CID 18586091) is N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide is COc1ccc(SCC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1.
What is the InChIKey of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide?
The InChIKey is MUZLNHTUIVHYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S2/c1-13-4-5-15(10-14(13)2)18-11-26-20(21-18)22-19(23)12-25-17-8-6-16(24-3)7-9-17/h4-11H,12H2,1-3H3,(H,21,22,23).
What are the key properties of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide?
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide has a molecular weight of 384.53 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 18586091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).