2-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylcyclopropyl)ethanone

C15H15NOS — CID 116517016

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylcyclopropyl)ethanone
SMILESCc1nc(CC(=O)C2CC2c2ccccc2)cs1
InChIInChI=1S/C15H15NOS/c1-10-16-12(9-18-10)7-15(17)14-8-13(14)11-5-3-2-4-6-11/h2-6,9,13-14H,7-8H2,1H3
InChIKeyGUVDQVVNDKQVJI-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.37
Rot. Bonds4

About 2-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylcyclopropyl)ethanone

2-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylcyclopropyl)ethanone (PubChem CID 116517016) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylcyclopropyl)ethanone.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylcyclopropyl)ethanone
PubChem CID116517016
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylcyclopropyl)ethanone
SMILESCc1nc(CC(=O)C2CC2c2ccccc2)cs1
InChIInChI=1S/C15H15NOS/c1-10-16-12(9-18-10)7-15(17)14-8-13(14)11-5-3-2-4-6-11/h2-6,9,13-14H,7-8H2,1H3
InChIKeyGUVDQVVNDKQVJI-UHFFFAOYSA-N
XLogP3.37
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylpyrrolidin-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116572640
1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 105108733
1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 95583764
1-cyclooctyl-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 80602505
N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 86841366
2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone
CID 164769669
1-[4-(methylamino)oxolan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116561494
2-(2-methyl-1,3-thiazol-4-yl)-1-(3-oxabicyclo[3.1.0]hexan-6-yl)ethanone
CID 130965050
3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-2,3-dihydro-1H-indene-1-carboxylic acid
CID 146135159
(3S,4R)-4-(3-methoxyphenyl)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 70777673
2-[2-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]phenyl]acetic acid
CID 81311652
N-(2,3-dihydro-1H-inden-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 70770672

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylcyclopropyl)ethanone?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylcyclopropyl)ethanone (CID 116517016) is 2-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylcyclopropyl)ethanone.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylcyclopropyl)ethanone?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylcyclopropyl)ethanone is Cc1nc(CC(=O)C2CC2c2ccccc2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylcyclopropyl)ethanone?
The InChIKey is GUVDQVVNDKQVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-10-16-12(9-18-10)7-15(17)14-8-13(14)11-5-3-2-4-6-11/h2-6,9,13-14H,7-8H2,1H3.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylcyclopropyl)ethanone?
2-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylcyclopropyl)ethanone has a molecular weight of 257.36 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylcyclopropyl)ethanone is sourced from PubChem (CID 116517016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).