N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide

C13H22N2O2S — CID 54994512

IUPACN-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide
SMILESCCC(CC)N(CCO)C(=O)Cc1csc(C)n1
InChIInChI=1S/C13H22N2O2S/c1-4-12(5-2)15(6-7-16)13(17)8-11-9-18-10(3)14-11/h9,12,16H,4-8H2,1-3H3
InChIKeyLCSLSBLTEDSPNT-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.00
Rot. Bonds7

About N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide

N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide (PubChem CID 54994512) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide
PubChem CID54994512
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide
SMILESCCC(CC)N(CCO)C(=O)Cc1csc(C)n1
InChIInChI=1S/C13H22N2O2S/c1-4-12(5-2)15(6-7-16)13(17)8-11-9-18-10(3)14-11/h9,12,16H,4-8H2,1-3H3
InChIKeyLCSLSBLTEDSPNT-UHFFFAOYSA-N
XLogP2.00
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60653359
N-cyclohexyl-N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 54942911
1,1-diethoxy-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
CID 79495928
1-(2-methyl-1,3-thiazol-4-yl)butan-2-one
CID 62799842
3-[ethyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-2-methylpropanoic acid
CID 55123103
2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid
CID 43356197
N-(2-hydroxyethyl)-2-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 65199061
N-(2-chloroethyl)-2-methyl-N-pentan-3-yl-1,3-thiazole-4-carboxamide
CID 65198386
2-methyl-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 55008249
N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 71874470
N-ethyl-2-(2-ethyl-1,3-thiazol-4-yl)-N-(2-hydroxyethyl)acetamide
CID 110903725
diethyl 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanedioate
CID 43409386

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide (CID 54994512) is N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide is CCC(CC)N(CCO)C(=O)Cc1csc(C)n1.
What is the InChIKey of N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide?
The InChIKey is LCSLSBLTEDSPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-12(5-2)15(6-7-16)13(17)8-11-9-18-10(3)14-11/h9,12,16H,4-8H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide?
N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide has a molecular weight of 270.40 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide is sourced from PubChem (CID 54994512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).