N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(trifluoromethyl)cyclopentane-1-carboxamide

C13H17F3N2OS — CID 154802907

IUPACN-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(trifluoromethyl)cyclopentane-1-carboxamide
SMILESCc1csc(C(C)NC(=O)C2(C(F)(F)F)CCCC2)n1
InChIInChI=1S/C13H17F3N2OS/c1-8-7-20-10(17-8)9(2)18-11(19)12(13(14,15)16)5-3-4-6-12/h7,9H,3-6H2,1-2H3,(H,18,19)
InChIKeyVFCFKHIFIGMOBI-UHFFFAOYSA-N
MW306.35 g/mol
LogP3.75
Rot. Bonds3

About N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(trifluoromethyl)cyclopentane-1-carboxamide

N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(trifluoromethyl)cyclopentane-1-carboxamide (PubChem CID 154802907) has the molecular formula C13H17F3N2OS and a molecular weight of 306.35 g/mol. Its IUPAC name is N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(trifluoromethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(trifluoromethyl)cyclopentane-1-carboxamide
PubChem CID154802907
Molecular FormulaC13H17F3N2OS
Molecular Weight306.35 g/mol
Exact Mass306.10
IUPAC NameN-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(trifluoromethyl)cyclopentane-1-carboxamide
SMILESCc1csc(C(C)NC(=O)C2(C(F)(F)F)CCCC2)n1
InChIInChI=1S/C13H17F3N2OS/c1-8-7-20-10(17-8)9(2)18-11(19)12(13(14,15)16)5-3-4-6-12/h7,9H,3-6H2,1-2H3,(H,18,19)
InChIKeyVFCFKHIFIGMOBI-UHFFFAOYSA-N
XLogP3.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 82108654
1-amino-3-ethoxy-2,2-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide
CID 114829359
1-methyl-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 82764933
2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 114898569
1-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 71918300
N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-1-(trifluoromethyl)cyclohexane-1-carboxamide
CID 154764249
1-carbamothioyl-3-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide
CID 80591552
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119875872
(2R)-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 78995805
1,1-diethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 115609023
ethyl 4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-4-oxobutanoate
CID 63022935
2-methyl-3-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119875883

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(trifluoromethyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(trifluoromethyl)cyclopentane-1-carboxamide (CID 154802907) is N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(trifluoromethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(trifluoromethyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(trifluoromethyl)cyclopentane-1-carboxamide is Cc1csc(C(C)NC(=O)C2(C(F)(F)F)CCCC2)n1.
What is the InChIKey of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(trifluoromethyl)cyclopentane-1-carboxamide?
The InChIKey is VFCFKHIFIGMOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2OS/c1-8-7-20-10(17-8)9(2)18-11(19)12(13(14,15)16)5-3-4-6-12/h7,9H,3-6H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(trifluoromethyl)cyclopentane-1-carboxamide?
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(trifluoromethyl)cyclopentane-1-carboxamide has a molecular weight of 306.35 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(trifluoromethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 154802907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).