N-[4-(hydroxymethyl)oxan-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C12H18N2O3S — CID 103954303

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NC2(CO)CCOCC2)cs1
InChIInChI=1S/C12H18N2O3S/c1-9-13-10(7-18-9)6-11(16)14-12(8-15)2-4-17-5-3-12/h7,15H,2-6,8H2,1H3,(H,14,16)
InChIKeyLBDCPOWWTQODSE-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.65
Rot. Bonds4

About N-[4-(hydroxymethyl)oxan-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[4-(hydroxymethyl)oxan-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 103954303) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID103954303
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NC2(CO)CCOCC2)cs1
InChIInChI=1S/C12H18N2O3S/c1-9-13-10(7-18-9)6-11(16)14-12(8-15)2-4-17-5-3-12/h7,15H,2-6,8H2,1H3,(H,14,16)
InChIKeyLBDCPOWWTQODSE-UHFFFAOYSA-N
XLogP0.65
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(hydroxymethyl)cyclohexyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 62522368
2-[1-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]cyclobutyl]acetic acid
CID 79848391
2-[4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]oxan-4-yl]acetic acid
CID 119214943
1-[4-(aminomethyl)oxan-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116603189
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-[3-(hydroxymethyl)oxolan-3-yl]acetamide
CID 126767657
(2S)-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 51052302
[3-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-yl]methanol
CID 66058593
N-[4-(hydroxymethyl)oxan-4-yl]-3-methylthiophene-2-carboxamide
CID 113358062
[4-(hydroxymethyl)oxan-4-yl]carbamic acid
CID 68806059
4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine
CID 115757938
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110128285
methyl 4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxylate
CID 75504129

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 103954303) is N-[4-(hydroxymethyl)oxan-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)NC2(CO)CCOCC2)cs1.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is LBDCPOWWTQODSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9-13-10(7-18-9)6-11(16)14-12(8-15)2-4-17-5-3-12/h7,15H,2-6,8H2,1H3,(H,14,16).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[4-(hydroxymethyl)oxan-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 270.35 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 103954303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).