1-[2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-one

C11H15NOS — CID 171594182

IUPAC1-[2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cnc(CC2CC2)s1
InChIInChI=1S/C11H15NOS/c1-7(2)11(13)9-6-12-10(14-9)5-8-3-4-8/h6-8H,3-5H2,1-2H3
InChIKeyHXWMRFRUYTUIDM-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.93
Rot. Bonds4

About 1-[2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-one

1-[2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-one (PubChem CID 171594182) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-one
PubChem CID171594182
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name1-[2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cnc(CC2CC2)s1
InChIInChI=1S/C11H15NOS/c1-7(2)11(13)9-6-12-10(14-9)5-8-3-4-8/h6-8H,3-5H2,1-2H3
InChIKeyHXWMRFRUYTUIDM-UHFFFAOYSA-N
XLogP2.93
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(methoxymethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-one
CID 171593900
1-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanone
CID 115090032
1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]ethanol
CID 115090169
2-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1,3-thiazole-5-carboxylic acid
CID 136571997
1-[2-(dimethylamino)-1,3-thiazol-5-yl]-2-methylpropan-1-one
CID 83880350
1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 115090197
2-[(1,1-dioxothiolan-3-yl)methyl]-1,3-thiazole-5-carboxylic acid
CID 115090145
1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-one
CID 115090214
2,3,3-trimethyl-1-[2-(2-methylpropyl)-1,3-thiazol-5-yl]butan-1-one
CID 135075591
[4-[[5-(aminomethyl)-1,3-thiazol-2-yl]methyl]cyclohexyl] carbamate
CID 134349841
1-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-one
CID 115090064
2-[2-[(1,1-dioxothian-4-yl)methyl]-1,3-thiazol-5-yl]propan-1-ol
CID 115090223

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-one (CID 171594182) is 1-[2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-one is CC(C)C(=O)c1cnc(CC2CC2)s1.
What is the InChIKey of 1-[2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-one?
The InChIKey is HXWMRFRUYTUIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-7(2)11(13)9-6-12-10(14-9)5-8-3-4-8/h6-8H,3-5H2,1-2H3.
What are the key properties of 1-[2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-one?
1-[2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-one has a molecular weight of 209.31 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-one is sourced from PubChem (CID 171594182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).