N-(cyclopropylmethyl)-2-[[4-[[2-(trifluoromethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide

C20H21F3N2O4S — CID 156900161

IUPACN-(cyclopropylmethyl)-2-[[4-[[2-(trifluoromethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CC1)c1csc(Cc2ccc(OCC3(C(F)(F)F)OCCO3)cc2)n1
InChIInChI=1S/C20H21F3N2O4S/c21-20(22,23)19(28-7-8-29-19)12-27-15-5-3-13(4-6-15)9-17-25-16(11-30-17)18(26)24-10-14-1-2-14/h3-6,11,14H,1-2,7-10,12H2,(H,24,26)
InChIKeyHCKWHYXJZCJQEV-UHFFFAOYSA-N
MW442.46 g/mol
LogP3.56
Rot. Bonds8

About N-(cyclopropylmethyl)-2-[[4-[[2-(trifluoromethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide

N-(cyclopropylmethyl)-2-[[4-[[2-(trifluoromethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 156900161) has the molecular formula C20H21F3N2O4S and a molecular weight of 442.46 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[[4-[[2-(trifluoromethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[[4-[[2-(trifluoromethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID156900161
Molecular FormulaC20H21F3N2O4S
Molecular Weight442.46 g/mol
Exact Mass442.12
IUPAC NameN-(cyclopropylmethyl)-2-[[4-[[2-(trifluoromethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CC1)c1csc(Cc2ccc(OCC3(C(F)(F)F)OCCO3)cc2)n1
InChIInChI=1S/C20H21F3N2O4S/c21-20(22,23)19(28-7-8-29-19)12-27-15-5-3-13(4-6-15)9-17-25-16(11-30-17)18(26)24-10-14-1-2-14/h3-6,11,14H,1-2,7-10,12H2,(H,24,26)
InChIKeyHCKWHYXJZCJQEV-UHFFFAOYSA-N
XLogP3.56
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 166291810
2-[(4-fluorophenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 36701839
2-[(2-fluorophenyl)methyl]-N-[(3-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide
CID 111460007
2-(aminomethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 119865544
2-(aminomethyl)-N-(cyclooctylmethyl)-1,3-thiazole-4-carboxamide
CID 119741882
2-(aminomethyl)-N-[(4-tert-butylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119808652
N-(cyclopropylmethyl)-5-[[4-(trifluoromethoxy)phenoxy]methyl]pyridine-2-carboxamide
CID 71499319
2-(2-aminoethyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120619699
2-[(4-methoxyphenyl)methyl]-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 84556750
2-[(4-nitrophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46003417
2-(1-aminoethyl)-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
CID 66373599
2-[4-[(3-chlorophenyl)methoxy]phenyl]-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
CID 46067877

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[[4-[[2-(trifluoromethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[[4-[[2-(trifluoromethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide (CID 156900161) is N-(cyclopropylmethyl)-2-[[4-[[2-(trifluoromethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[[4-[[2-(trifluoromethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[[4-[[2-(trifluoromethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide is O=C(NCC1CC1)c1csc(Cc2ccc(OCC3(C(F)(F)F)OCCO3)cc2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[[4-[[2-(trifluoromethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HCKWHYXJZCJQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O4S/c21-20(22,23)19(28-7-8-29-19)12-27-15-5-3-13(4-6-15)9-17-25-16(11-30-17)18(26)24-10-14-1-2-14/h3-6,11,14H,1-2,7-10,12H2,(H,24,26).
What are the key properties of N-(cyclopropylmethyl)-2-[[4-[[2-(trifluoromethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide?
N-(cyclopropylmethyl)-2-[[4-[[2-(trifluoromethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 442.46 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[[4-[[2-(trifluoromethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 156900161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).