N-(1-cyclopropylethyl)-2-(2-phenyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide

C18H19F3N2OS — CID 18775458

IUPACN-(1-cyclopropylethyl)-2-(2-phenyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C18H19F3N2OS/c1-12(13-7-8-13)23(11-18(19,20)21)16(24)9-15-10-25-17(22-15)14-5-3-2-4-6-14/h2-6,10,12-13H,7-9,11H2,1H3
InChIKeyJLTDDQAFVKNRLK-UHFFFAOYSA-N
MW368.42 g/mol
LogP4.54
Rot. Bonds6

About N-(1-cyclopropylethyl)-2-(2-phenyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide

N-(1-cyclopropylethyl)-2-(2-phenyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 18775458) has the molecular formula C18H19F3N2OS and a molecular weight of 368.42 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-(2-phenyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-(2-phenyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID18775458
Molecular FormulaC18H19F3N2OS
Molecular Weight368.42 g/mol
Exact Mass368.12
IUPAC NameN-(1-cyclopropylethyl)-2-(2-phenyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C18H19F3N2OS/c1-12(13-7-8-13)23(11-18(19,20)21)16(24)9-15-10-25-17(22-15)14-5-3-2-4-6-14/h2-6,10,12-13H,7-9,11H2,1H3
InChIKeyJLTDDQAFVKNRLK-UHFFFAOYSA-N
XLogP4.54
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(1-cyclopropylethyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 55557175
N-(1-cyclopropylethyl)-2-(4-oxo-3H-phthalazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 18775243
N-benzyl-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
CID 24609866
2-[butan-2-yl-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 119955178
2-methyl-3-[methyl-[2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 122111619
N-(1-cyclopropylethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 60717510
2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide
CID 2740630
2-[cyclopropyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 122067262
sodium 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 4671727
2-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 60629066
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 86920323
3-[propan-2-yl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 119207601

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-(2-phenyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(1-cyclopropylethyl)-2-(2-phenyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 18775458) is N-(1-cyclopropylethyl)-2-(2-phenyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-(2-phenyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2-(2-phenyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide is CC(C1CC1)N(CC(F)(F)F)C(=O)Cc1csc(-c2ccccc2)n1.
What is the InChIKey of N-(1-cyclopropylethyl)-2-(2-phenyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is JLTDDQAFVKNRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2OS/c1-12(13-7-8-13)23(11-18(19,20)21)16(24)9-15-10-25-17(22-15)14-5-3-2-4-6-14/h2-6,10,12-13H,7-9,11H2,1H3.
What are the key properties of N-(1-cyclopropylethyl)-2-(2-phenyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
N-(1-cyclopropylethyl)-2-(2-phenyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 368.42 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-(2-phenyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 18775458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).