1-[4-cyclopropyl-2-(methoxymethyl)-1,3-thiazol-5-yl]ethanone

C10H13NO2S — CID 82437515

IUPAC1-[4-cyclopropyl-2-(methoxymethyl)-1,3-thiazol-5-yl]ethanone
SMILESCOCc1nc(C2CC2)c(C(C)=O)s1
InChIInChI=1S/C10H13NO2S/c1-6(12)10-9(7-3-4-7)11-8(14-10)5-13-2/h7H,3-5H2,1-2H3
InChIKeyGUIWEUQCHSWKFW-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.37
Rot. Bonds4

About 1-[4-cyclopropyl-2-(methoxymethyl)-1,3-thiazol-5-yl]ethanone

1-[4-cyclopropyl-2-(methoxymethyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 82437515) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 1-[4-cyclopropyl-2-(methoxymethyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-cyclopropyl-2-(methoxymethyl)-1,3-thiazol-5-yl]ethanone
PubChem CID82437515
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name1-[4-cyclopropyl-2-(methoxymethyl)-1,3-thiazol-5-yl]ethanone
SMILESCOCc1nc(C2CC2)c(C(C)=O)s1
InChIInChI=1S/C10H13NO2S/c1-6(12)10-9(7-3-4-7)11-8(14-10)5-13-2/h7H,3-5H2,1-2H3
InChIKeyGUIWEUQCHSWKFW-UHFFFAOYSA-N
XLogP2.37
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-3-[4-cyclopropyl-2-(methoxymethyl)-1,3-thiazol-5-yl]prop-2-enoic acid
CID 82437516
1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanone
CID 82436764
1-(2-amino-4-cyclopropyl-1,3-thiazol-5-yl)ethanone
CID 159715371
1-[4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82436503
5-acetyl-2-(methoxymethyl)-1,3-thiazole-4-carboxylic acid
CID 106696340
1-[2-(methoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]ethanone
CID 82435157
4-cyclopropyl-2-[(2-methoxyethylamino)methyl]-1,3-thiazole-5-carboxylic acid
CID 114358688
4-cyclopropyl-2-propyl-1,3-thiazole-5-carboxylic acid
CID 82226918
N-cyclopropyl-2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]acetamide
CID 110374533
4-cyclopropyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82436456
1-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]ethanone
CID 82440170
1-[4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethanone
CID 82437284

Frequently Asked Questions

What is the IUPAC name of 1-[4-cyclopropyl-2-(methoxymethyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-cyclopropyl-2-(methoxymethyl)-1,3-thiazol-5-yl]ethanone (CID 82437515) is 1-[4-cyclopropyl-2-(methoxymethyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-cyclopropyl-2-(methoxymethyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-cyclopropyl-2-(methoxymethyl)-1,3-thiazol-5-yl]ethanone is COCc1nc(C2CC2)c(C(C)=O)s1.
What is the InChIKey of 1-[4-cyclopropyl-2-(methoxymethyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is GUIWEUQCHSWKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-6(12)10-9(7-3-4-7)11-8(14-10)5-13-2/h7H,3-5H2,1-2H3.
What are the key properties of 1-[4-cyclopropyl-2-(methoxymethyl)-1,3-thiazol-5-yl]ethanone?
1-[4-cyclopropyl-2-(methoxymethyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 211.29 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyclopropyl-2-(methoxymethyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 82437515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).