N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

C16H18ClN3O2S2 — CID 3569422

IUPACN-(3-chloro-2-morpholin-4-ylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)Nc2cccc(Cl)c2N2CCOCC2)n1
InChIInChI=1S/C16H18ClN3O2S2/c1-11-9-23-16(18-11)24-10-14(21)19-13-4-2-3-12(17)15(13)20-5-7-22-8-6-20/h2-4,9H,5-8,10H2,1H3,(H,19,21)
InChIKeyHWBNDBDHLHWWEG-UHFFFAOYSA-N
MW383.93 g/mol
LogP3.67
Rot. Bonds5

About N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 3569422) has the molecular formula C16H18ClN3O2S2 and a molecular weight of 383.93 g/mol. Its IUPAC name is N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-morpholin-4-ylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID3569422
Molecular FormulaC16H18ClN3O2S2
Molecular Weight383.93 g/mol
Exact Mass383.05
IUPAC NameN-(3-chloro-2-morpholin-4-ylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)Nc2cccc(Cl)c2N2CCOCC2)n1
InChIInChI=1S/C16H18ClN3O2S2/c1-11-9-23-16(18-11)24-10-14(21)19-13-4-2-3-12(17)15(13)20-5-7-22-8-6-20/h2-4,9H,5-8,10H2,1H3,(H,19,21)
InChIKeyHWBNDBDHLHWWEG-UHFFFAOYSA-N
XLogP3.67
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.93
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 3264830
N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 41270501
N-[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 3559553
N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide
CID 56735268
N-(2,3-dimethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532833
N-(3-chloro-2-morpholin-4-ylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 41269093
2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide
CID 31242447
N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide
CID 134064845
N-(3-chloro-2-morpholin-4-ylphenyl)-2-thiophen-3-ylacetamide
CID 18141754
N-(3-chloro-2-morpholin-4-ylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 131960632
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide
CID 24603904
N-(3-chloro-2-morpholin-4-ylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 167828485

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 3569422) is N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is Cc1csc(SCC(=O)Nc2cccc(Cl)c2N2CCOCC2)n1.
What is the InChIKey of N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is HWBNDBDHLHWWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2S2/c1-11-9-23-16(18-11)24-10-14(21)19-13-4-2-3-12(17)15(13)20-5-7-22-8-6-20/h2-4,9H,5-8,10H2,1H3,(H,19,21).
What are the key properties of N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 383.93 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 3569422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).