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

C14H14F3N3O2S — CID 47492346

IUPAC1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
SMILESCc1ccsc1CN(C)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C14H14F3N3O2S/c1-8-3-4-23-11(8)7-20(2)13(22)19-10-5-9(14(15,16)17)6-18-12(10)21/h3-6H,7H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyKBBBVASFNPIKAI-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.43
Rot. Bonds3

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

1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea (PubChem CID 47492346) has the molecular formula C14H14F3N3O2S and a molecular weight of 345.35 g/mol. Its IUPAC name is 1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea.

Molecular Properties

Compound Name1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
PubChem CID47492346
Molecular FormulaC14H14F3N3O2S
Molecular Weight345.35 g/mol
Exact Mass345.08
IUPAC Name1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
SMILESCc1ccsc1CN(C)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C14H14F3N3O2S/c1-8-3-4-23-11(8)7-20(2)13(22)19-10-5-9(14(15,16)17)6-18-12(10)21/h3-6H,7H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyKBBBVASFNPIKAI-UHFFFAOYSA-N
XLogP3.43
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 111859176
3-(2-bromo-4-fluorophenyl)-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 55747939
1,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 115169307
1,1-bis(2-methoxyethyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 47492145
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropanecarboxamide
CID 47137245
3-(1,3-benzodioxol-5-yl)-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 51301850
3-cyclopropyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 47127701
2-methyl-3-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
CID 119399141
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 134001675
N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 60651297
N,3,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 51073057
3-cyclohexyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 78799786

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea?
The IUPAC name of 1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea (CID 47492346) is 1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea.
What is the SMILES notation for 1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea?
The canonical SMILES for 1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea is Cc1ccsc1CN(C)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of 1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea?
The InChIKey is KBBBVASFNPIKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2S/c1-8-3-4-23-11(8)7-20(2)13(22)19-10-5-9(14(15,16)17)6-18-12(10)21/h3-6H,7H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea?
1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea has a molecular weight of 345.35 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea is sourced from PubChem (CID 47492346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).