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

C19H23N3O3S2 — CID 3623257

IUPACN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESCc1ccc(-c2csc(NC(=O)CSCC(=O)N3CCOCC3)n2)c(C)c1
InChIInChI=1S/C19H23N3O3S2/c1-13-3-4-15(14(2)9-13)16-10-27-19(20-16)21-17(23)11-26-12-18(24)22-5-7-25-8-6-22/h3-4,9-10H,5-8,11-12H2,1-2H3,(H,20,21,23)
InChIKeyPJLWJTZQESNXQE-UHFFFAOYSA-N
MW405.55 g/mol
LogP2.96
Rot. Bonds6

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

N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (PubChem CID 3623257) has the molecular formula C19H23N3O3S2 and a molecular weight of 405.55 g/mol. Its IUPAC name is N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
PubChem CID3623257
Molecular FormulaC19H23N3O3S2
Molecular Weight405.55 g/mol
Exact Mass405.12
IUPAC NameN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESCc1ccc(-c2csc(NC(=O)CSCC(=O)N3CCOCC3)n2)c(C)c1
InChIInChI=1S/C19H23N3O3S2/c1-13-3-4-15(14(2)9-13)16-10-27-19(20-16)21-17(23)11-26-12-18(24)22-5-7-25-8-6-22/h3-4,9-10H,5-8,11-12H2,1-2H3,(H,20,21,23)
InChIKeyPJLWJTZQESNXQE-UHFFFAOYSA-N
XLogP2.96
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 2158825
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylacetamide
CID 4051688
1-amino-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 119685811
4-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 26073381
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
CID 3627689
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 112762064
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide
CID 8753150
trans-(1S,2S)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 40820828
trans-(1R,2R)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 40820829
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 735052
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8753140
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 1292865

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The IUPAC name of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (CID 3623257) is N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.
What is the SMILES notation for N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The canonical SMILES for N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is Cc1ccc(-c2csc(NC(=O)CSCC(=O)N3CCOCC3)n2)c(C)c1.
What is the InChIKey of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The InChIKey is PJLWJTZQESNXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S2/c1-13-3-4-15(14(2)9-13)16-10-27-19(20-16)21-17(23)11-26-12-18(24)22-5-7-25-8-6-22/h3-4,9-10H,5-8,11-12H2,1-2H3,(H,20,21,23).
What are the key properties of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide has a molecular weight of 405.55 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is sourced from PubChem (CID 3623257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).