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

C17H21N3OS3 — CID 119938453

IUPACN-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-thiomorpholin-3-ylacetamide
SMILESCc1csc(Sc2ccc(NC(=O)CC3CSCCN3)c(C)c2)n1
InChIInChI=1S/C17H21N3OS3/c1-11-7-14(24-17-19-12(2)9-23-17)3-4-15(11)20-16(21)8-13-10-22-6-5-18-13/h3-4,7,9,13,18H,5-6,8,10H2,1-2H3,(H,20,21)
InChIKeyGJIUXGHCVOKLRJ-UHFFFAOYSA-N
MW379.58 g/mol
LogP3.94
Rot. Bonds5

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

N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119938453) has the molecular formula C17H21N3OS3 and a molecular weight of 379.58 g/mol. Its IUPAC name is N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119938453
Molecular FormulaC17H21N3OS3
Molecular Weight379.58 g/mol
Exact Mass379.08
IUPAC NameN-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-thiomorpholin-3-ylacetamide
SMILESCc1csc(Sc2ccc(NC(=O)CC3CSCCN3)c(C)c2)n1
InChIInChI=1S/C17H21N3OS3/c1-11-7-14(24-17-19-12(2)9-23-17)3-4-15(11)20-16(21)8-13-10-22-6-5-18-13/h3-4,7,9,13,18H,5-6,8,10H2,1-2H3,(H,20,21)
InChIKeyGJIUXGHCVOKLRJ-UHFFFAOYSA-N
XLogP3.94
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.58
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119766849
4-amino-N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]pentanamide;hydrochloride
CID 120561971
N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119940404
N-(2-methoxy-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420261
N-[2-methyl-4-(1-phenylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119938718
N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-methylsulfanylpropanamide
CID 47093016
N-(2-acetamido-5-bromophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938069
1-[(2R)-2-cyanopropyl]-3-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]urea
CID 97068214
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide
CID 66420895
N-(3-iodo-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66422026
N-(4-fluoro-3-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420709
N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935026

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-thiomorpholin-3-ylacetamide (CID 119938453) is N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-thiomorpholin-3-ylacetamide is Cc1csc(Sc2ccc(NC(=O)CC3CSCCN3)c(C)c2)n1.
What is the InChIKey of N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is GJIUXGHCVOKLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS3/c1-11-7-14(24-17-19-12(2)9-23-17)3-4-15(11)20-16(21)8-13-10-22-6-5-18-13/h3-4,7,9,13,18H,5-6,8,10H2,1-2H3,(H,20,21).
What are the key properties of N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-thiomorpholin-3-ylacetamide?
N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 379.58 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119938453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).