N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-ylsulfanyl)acetamide

C20H24Cl2N4O2S2 — CID 67169253

IUPACN-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nc2c(s1)CNCC2)NCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1
InChIInChI=1S/C20H24Cl2N4O2S2/c21-15-2-1-13(7-16(15)22)10-26-5-6-28-14(11-26)8-24-19(27)12-29-20-25-17-3-4-23-9-18(17)30-20/h1-2,7,14,23H,3-6,8-12H2,(H,24,27)
InChIKeyXMZWQENWTOKDEC-UHFFFAOYSA-N
MW487.48 g/mol
LogP3.20
Rot. Bonds7

About N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-ylsulfanyl)acetamide

N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-ylsulfanyl)acetamide (PubChem CID 67169253) has the molecular formula C20H24Cl2N4O2S2 and a molecular weight of 487.48 g/mol. Its IUPAC name is N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-ylsulfanyl)acetamide
PubChem CID67169253
Molecular FormulaC20H24Cl2N4O2S2
Molecular Weight487.48 g/mol
Exact Mass486.07
IUPAC NameN-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nc2c(s1)CNCC2)NCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1
InChIInChI=1S/C20H24Cl2N4O2S2/c21-15-2-1-13(7-16(15)22)10-26-5-6-28-14(11-26)8-24-19(27)12-29-20-25-17-3-4-23-9-18(17)30-20/h1-2,7,14,23H,3-6,8-12H2,(H,24,27)
InChIKeyXMZWQENWTOKDEC-UHFFFAOYSA-N
XLogP3.20
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.48
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-ylsulfanyl)acetamide with MolForge

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Related Compounds

2-[2-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-5-methyl-1,3-thiazole-4-carboxylic acid
CID 57450139
2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide
CID 67170691
3-[2-[2-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]prop-2-enoic acid
CID 67168971
2-(4-aminophenyl)sulfanyl-N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide
CID 67168644
2-[2-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-N-ethyl-1,3-thiazole-4-carboxamide
CID 67170018
N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-thiophen-2-ylsulfanylacetamide
CID 67169478
4-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanylbenzamide
CID 59009090
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetamide
CID 25495540
N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(4,6-dimethoxypyrimidin-2-yl)sulfanylacetamide
CID 67169609
N-(2-amino-2-oxoethyl)-2-[2-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazole-4-carboxamide
CID 57450128
N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 59009077
methyl 2-[2-[2-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-2-methylpropanoate
CID 67170204

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-ylsulfanyl)acetamide?
The IUPAC name of N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-ylsulfanyl)acetamide (CID 67169253) is N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-ylsulfanyl)acetamide?
The canonical SMILES for N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-ylsulfanyl)acetamide is O=C(CSc1nc2c(s1)CNCC2)NCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1.
What is the InChIKey of N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-ylsulfanyl)acetamide?
The InChIKey is XMZWQENWTOKDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N4O2S2/c21-15-2-1-13(7-16(15)22)10-26-5-6-28-14(11-26)8-24-19(27)12-29-20-25-17-3-4-23-9-18(17)30-20/h1-2,7,14,23H,3-6,8-12H2,(H,24,27).
What are the key properties of N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-ylsulfanyl)acetamide?
N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-ylsulfanyl)acetamide has a molecular weight of 487.48 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-ylsulfanyl)acetamide is sourced from PubChem (CID 67169253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).