N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide

C12H18N2O3S — CID 86868384

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide
SMILESCc1ncc(CNC(=O)COCC2CCCO2)s1
InChIInChI=1S/C12H18N2O3S/c1-9-13-5-11(18-9)6-14-12(15)8-16-7-10-3-2-4-17-10/h5,10H,2-4,6-8H2,1H3,(H,14,15)
InChIKeyDBTCZUVRRZHAHE-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.26
Rot. Bonds6

About N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide (PubChem CID 86868384) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide
PubChem CID86868384
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide
SMILESCc1ncc(CNC(=O)COCC2CCCO2)s1
InChIInChI=1S/C12H18N2O3S/c1-9-13-5-11(18-9)6-14-12(15)8-16-7-10-3-2-4-17-10/h5,10H,2-4,6-8H2,1H3,(H,14,15)
InChIKeyDBTCZUVRRZHAHE-UHFFFAOYSA-N
XLogP1.26
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 86825645
N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 56785859
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(oxan-2-ylmethoxy)acetamide
CID 91790876
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-[[(2R)-oxan-2-yl]methoxy]acetamide
CID 125170928
3-cyclopentyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 39855016
2-[[(2S)-oxan-2-yl]methoxy]-N-(thiophen-3-ylmethyl)acetamide
CID 124854548
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-2-ylmethoxy)acetamide
CID 90650357
2-(oxan-2-ylmethoxy)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
CID 86284175
2-[[(2S)-oxan-2-yl]methoxy]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
CID 99972011
2-(oxolan-2-ylmethoxy)-N-propan-2-ylacetamide
CID 129257455
N-[(1-ethylindazol-3-yl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
CID 125159688
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
CID 129335770

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide (CID 86868384) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide is Cc1ncc(CNC(=O)COCC2CCCO2)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide?
The InChIKey is DBTCZUVRRZHAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9-13-5-11(18-9)6-14-12(15)8-16-7-10-3-2-4-17-10/h5,10H,2-4,6-8H2,1H3,(H,14,15).
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide has a molecular weight of 270.35 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide is sourced from PubChem (CID 86868384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).