(1-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

C14H10F3NOS — CID 106782483

IUPAC(1-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(C(F)(F)F)s1)C1(c2ccccc2)CC1
InChIInChI=1S/C14H10F3NOS/c15-14(16,17)12-18-8-10(20-12)11(19)13(6-7-13)9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKeyHNPOYDXLNUFCPZ-UHFFFAOYSA-N
MW297.30 g/mol
LogP4.08
Rot. Bonds3

About (1-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

(1-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106782483) has the molecular formula C14H10F3NOS and a molecular weight of 297.30 g/mol. Its IUPAC name is (1-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(1-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106782483
Molecular FormulaC14H10F3NOS
Molecular Weight297.30 g/mol
Exact Mass297.04
IUPAC Name(1-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(C(F)(F)F)s1)C1(c2ccccc2)CC1
InChIInChI=1S/C14H10F3NOS/c15-14(16,17)12-18-8-10(20-12)11(19)13(6-7-13)9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKeyHNPOYDXLNUFCPZ-UHFFFAOYSA-N
XLogP4.08
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chlorothiophen-2-yl)-(1-phenylcyclopropyl)methanone
CID 62879150
naphthalen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782470
(2-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106784849
3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782430
(5-chloro-4-methylthiophen-2-yl)-(1-phenylcyclopropyl)methanone
CID 102763056
2,3-dihydro-1-benzothiophen-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106784824
3-(4-methylphenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106784958
cyclopentyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782444
2-(1,3-dioxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106785008
3-(3-aminophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106784783
4-(methylamino)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106784647
azetidin-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106784725

Frequently Asked Questions

What is the IUPAC name of (1-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (1-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106782483) is (1-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (1-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (1-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is O=C(c1cnc(C(F)(F)F)s1)C1(c2ccccc2)CC1.
What is the InChIKey of (1-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is HNPOYDXLNUFCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NOS/c15-14(16,17)12-18-8-10(20-12)11(19)13(6-7-13)9-4-2-1-3-5-9/h1-5,8H,6-7H2.
What are the key properties of (1-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
(1-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 297.30 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106782483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).