N-[2-[[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide

C19H17F6N3O2S — CID 43066526

IUPACN-[2-[[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCC(=O)Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1
InChIInChI=1S/C19H17F6N3O2S/c1-9-2-14(9)16(30)26-8-15(29)28-17-27-7-13(31-17)5-10-3-11(18(20,21)22)6-12(4-10)19(23,24)25/h3-4,6-7,9,14H,2,5,8H2,1H3,(H,26,30)(H,27,28,29)
InChIKeyKNPRWYZCUKYLPX-UHFFFAOYSA-N
MW465.42 g/mol
LogP4.48
Rot. Bonds6

About N-[2-[[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide

N-[2-[[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 43066526) has the molecular formula C19H17F6N3O2S and a molecular weight of 465.42 g/mol. Its IUPAC name is N-[2-[[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
PubChem CID43066526
Molecular FormulaC19H17F6N3O2S
Molecular Weight465.42 g/mol
Exact Mass465.09
IUPAC NameN-[2-[[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCC(=O)Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1
InChIInChI=1S/C19H17F6N3O2S/c1-9-2-14(9)16(30)26-8-15(29)28-17-27-7-13(31-17)5-10-3-11(18(20,21)22)6-12(4-10)19(23,24)25/h3-4,6-7,9,14H,2,5,8H2,1H3,(H,26,30)(H,27,28,29)
InChIKeyKNPRWYZCUKYLPX-UHFFFAOYSA-N
XLogP4.48
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.42
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 119702595
cis-(1R,2S)-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 167944765
N-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide
CID 24658292
2-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 51328951
3-amino-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119698306
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55653288
N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 166228141
6-acetamido-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]hexanamide
CID 78843663
(3S)-1-ethyl-5-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 51595150
(2R,3S)-2-methyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride
CID 120920488
N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide
CID 30684704
N-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-[(prop-2-enoylamino)methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-[[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide (CID 43066526) is N-[2-[[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-[[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-[[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)NCC(=O)Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1.
What is the InChIKey of N-[2-[[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is KNPRWYZCUKYLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F6N3O2S/c1-9-2-14(9)16(30)26-8-15(29)28-17-27-7-13(31-17)5-10-3-11(18(20,21)22)6-12(4-10)19(23,24)25/h3-4,6-7,9,14H,2,5,8H2,1H3,(H,26,30)(H,27,28,29).
What are the key properties of N-[2-[[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide?
N-[2-[[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 465.42 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 43066526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).