1-[(1R)-1-(5-methylthiophen-2-yl)ethyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea

C14H14F3N3O2S — CID 95976952

IUPAC1-[(1R)-1-(5-methylthiophen-2-yl)ethyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
SMILESCc1ccc([C@@H](C)NC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)s1
InChIInChI=1S/C14H14F3N3O2S/c1-7-3-4-11(23-7)8(2)19-13(22)20-10-5-9(14(15,16)17)6-18-12(10)21/h3-6,8H,1-2H3,(H,18,21)(H2,19,20,22)/t8-/m1/s1
InChIKeyIONHRKNWCKPTBG-MRVPVSSYSA-N
MW345.35 g/mol
LogP3.65
Rot. Bonds3

About 1-[(1R)-1-(5-methylthiophen-2-yl)ethyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea

1-[(1R)-1-(5-methylthiophen-2-yl)ethyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea (PubChem CID 95976952) has the molecular formula C14H14F3N3O2S and a molecular weight of 345.35 g/mol. Its IUPAC name is 1-[(1R)-1-(5-methylthiophen-2-yl)ethyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(5-methylthiophen-2-yl)ethyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
PubChem CID95976952
Molecular FormulaC14H14F3N3O2S
Molecular Weight345.35 g/mol
Exact Mass345.08
IUPAC Name1-[(1R)-1-(5-methylthiophen-2-yl)ethyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
SMILESCc1ccc([C@@H](C)NC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)s1
InChIInChI=1S/C14H14F3N3O2S/c1-7-3-4-11(23-7)8(2)19-13(22)20-10-5-9(14(15,16)17)6-18-12(10)21/h3-6,8H,1-2H3,(H,18,21)(H2,19,20,22)/t8-/m1/s1
InChIKeyIONHRKNWCKPTBG-MRVPVSSYSA-N
XLogP3.65
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(1R)-1-(5-methylthiophen-2-yl)ethyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea with MolForge

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Related Compounds

2-methyl-3-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
CID 119399141
2-methyl-3-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide;hydrochloride
CID 119399140
3-amino-2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-phenylpropanamide
CID 119399129
4-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]carbamoylamino]-5-phenylpentanoic acid
CID 122077457
1-(2-hydroxypentyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 111431494
5-[1-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-hydroxythiophene-2-carboxamide
CID 53374051
(2S)-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid
CID 54953706
2-methoxy-N-[3-methyl-1-oxo-1-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]butan-2-yl]benzamide
CID 56521557
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropanecarboxamide
CID 47137245
1-[4-(1-aminoethyl)phenyl]-3-[1-(5-methylthiophen-2-yl)ethyl]urea
CID 61475916
1-(5-methylthiophen-2-yl)ethylurea
CID 61356567
(2S)-3,3-dimethyl-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]butanoic acid
CID 61476029

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(5-methylthiophen-2-yl)ethyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea?
The IUPAC name of 1-[(1R)-1-(5-methylthiophen-2-yl)ethyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea (CID 95976952) is 1-[(1R)-1-(5-methylthiophen-2-yl)ethyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea.
What is the SMILES notation for 1-[(1R)-1-(5-methylthiophen-2-yl)ethyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea?
The canonical SMILES for 1-[(1R)-1-(5-methylthiophen-2-yl)ethyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea is Cc1ccc([C@@H](C)NC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)s1.
What is the InChIKey of 1-[(1R)-1-(5-methylthiophen-2-yl)ethyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea?
The InChIKey is IONHRKNWCKPTBG-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H14F3N3O2S/c1-7-3-4-11(23-7)8(2)19-13(22)20-10-5-9(14(15,16)17)6-18-12(10)21/h3-6,8H,1-2H3,(H,18,21)(H2,19,20,22)/t8-/m1/s1.
What are the key properties of 1-[(1R)-1-(5-methylthiophen-2-yl)ethyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea?
1-[(1R)-1-(5-methylthiophen-2-yl)ethyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea has a molecular weight of 345.35 g/mol, XLogP of 3.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(5-methylthiophen-2-yl)ethyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea is sourced from PubChem (CID 95976952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).