2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide

C10H16ClN3O3S — CID 80692696

IUPAC2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)c1nc(Cl)c(CO)s1
InChIInChI=1S/C10H16ClN3O3S/c1-14(5-8(16)12-3-4-17-2)10-13-9(11)7(6-15)18-10/h15H,3-6H2,1-2H3,(H,12,16)
InChIKeyPKSHRDUSRWHONM-UHFFFAOYSA-N
MW293.78 g/mol
LogP0.49
Rot. Bonds7

About 2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide

2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 80692696) has the molecular formula C10H16ClN3O3S and a molecular weight of 293.78 g/mol. Its IUPAC name is 2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID80692696
Molecular FormulaC10H16ClN3O3S
Molecular Weight293.78 g/mol
Exact Mass293.06
IUPAC Name2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)c1nc(Cl)c(CO)s1
InChIInChI=1S/C10H16ClN3O3S/c1-14(5-8(16)12-3-4-17-2)10-13-9(11)7(6-15)18-10/h15H,3-6H2,1-2H3,(H,12,16)
InChIKeyPKSHRDUSRWHONM-UHFFFAOYSA-N
XLogP0.49
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 64624526
2-[(4,6-dichloro-1,3,5-triazin-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 55023792
2-[(4-chloro-1,2,5-thiadiazol-3-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 60726164
2-[(5-bromo-6-chloropyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 114071706
[4-chloro-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
CID 80693627
3-[1-[[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
CID 42513054
2-[(5-aminopyrazin-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 80652005
[4-chloro-2-[2-methoxyethyl(pentan-3-yl)amino]-1,3-thiazol-5-yl]methanol
CID 80692406
5-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]pentan-1-ol
CID 107200937
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide
CID 106767470
2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]-N-(3-methoxypropyl)acetamide
CID 90605768
2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide
CID 106957148

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide (CID 80692696) is 2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C)c1nc(Cl)c(CO)s1.
What is the InChIKey of 2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is PKSHRDUSRWHONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O3S/c1-14(5-8(16)12-3-4-17-2)10-13-9(11)7(6-15)18-10/h15H,3-6H2,1-2H3,(H,12,16).
What are the key properties of 2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide?
2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 293.78 g/mol, XLogP of 0.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 80692696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).