N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide

C16H19N3O2S2 — CID 119936390

IUPACN-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide
SMILESCOc1ccccc1-c1csc(NC(=O)CC2CSCCN2)n1
InChIInChI=1S/C16H19N3O2S2/c1-21-14-5-3-2-4-12(14)13-10-23-16(18-13)19-15(20)8-11-9-22-7-6-17-11/h2-5,10-11,17H,6-9H2,1H3,(H,18,19,20)
InChIKeyPBLHLHCQGSXZCT-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.85
Rot. Bonds5

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

N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119936390) has the molecular formula C16H19N3O2S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide
PubChem CID119936390
Molecular FormulaC16H19N3O2S2
Molecular Weight349.48 g/mol
Exact Mass349.09
IUPAC NameN-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide
SMILESCOc1ccccc1-c1csc(NC(=O)CC2CSCCN2)n1
InChIInChI=1S/C16H19N3O2S2/c1-21-14-5-3-2-4-12(14)13-10-23-16(18-13)19-15(20)8-11-9-22-7-6-17-11/h2-5,10-11,17H,6-9H2,1H3,(H,18,19,20)
InChIKeyPBLHLHCQGSXZCT-UHFFFAOYSA-N
XLogP2.85
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119935123
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935122
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 4003372
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119936305
N-[4-(2-methoxyphenoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935799
4-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 82033947
N-[2-(2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935441
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide
CID 119676880
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide;hydrochloride
CID 119713306
2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
CID 12689382
2-(2,6-dichlorophenyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 171145197
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methylcyclohexyl)oxyacetamide
CID 86941565

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide (CID 119936390) is N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide is COc1ccccc1-c1csc(NC(=O)CC2CSCCN2)n1.
What is the InChIKey of N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is PBLHLHCQGSXZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S2/c1-21-14-5-3-2-4-12(14)13-10-23-16(18-13)19-15(20)8-11-9-22-7-6-17-11/h2-5,10-11,17H,6-9H2,1H3,(H,18,19,20).
What are the key properties of N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide?
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 349.48 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119936390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).