1-(3-fluoro-2-methylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea

C13H15FN4OS — CID 71857778

IUPAC1-(3-fluoro-2-methylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
SMILESCNc1nc(CNC(=O)Nc2cccc(F)c2C)cs1
InChIInChI=1S/C13H15FN4OS/c1-8-10(14)4-3-5-11(8)18-12(19)16-6-9-7-20-13(15-2)17-9/h3-5,7H,6H2,1-2H3,(H,15,17)(H2,16,18,19)
InChIKeyQHXPEHAPVVTONS-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.95
Rot. Bonds4

About 1-(3-fluoro-2-methylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea

1-(3-fluoro-2-methylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea (PubChem CID 71857778) has the molecular formula C13H15FN4OS and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-(3-fluoro-2-methylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea.

Molecular Properties

Compound Name1-(3-fluoro-2-methylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
PubChem CID71857778
Molecular FormulaC13H15FN4OS
Molecular Weight294.36 g/mol
Exact Mass294.10
IUPAC Name1-(3-fluoro-2-methylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
SMILESCNc1nc(CNC(=O)Nc2cccc(F)c2C)cs1
InChIInChI=1S/C13H15FN4OS/c1-8-10(14)4-3-5-11(8)18-12(19)16-6-9-7-20-13(15-2)17-9/h3-5,7H,6H2,1-2H3,(H,15,17)(H2,16,18,19)
InChIKeyQHXPEHAPVVTONS-UHFFFAOYSA-N
XLogP2.95
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyano-4-fluorophenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
CID 71857754
1-(3-fluoro-4-methylsulfanylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
CID 71857801
1-[2-(difluoromethoxy)-4-fluorophenyl]-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
CID 71857797
1-(2,3-difluorophenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 47456806
1-(3-fluoro-2-methylphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111521389
2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 110386251
2-[2-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]phenyl]acetic acid
CID 62534041
1-[4-[(2,2-difluoroethylamino)methyl]-1,3-thiazol-2-yl]-3-[(3-fluorophenyl)methyl]urea
CID 86661301
1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-(3-methyl-4-nitrophenyl)urea
CID 75518127
ethyl N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]carbamate
CID 110719565
1-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3-phenylurea
CID 110397891
1-cyclopentyl-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
CID 110747915

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-methylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea?
The IUPAC name of 1-(3-fluoro-2-methylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea (CID 71857778) is 1-(3-fluoro-2-methylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea.
What is the SMILES notation for 1-(3-fluoro-2-methylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea?
The canonical SMILES for 1-(3-fluoro-2-methylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea is CNc1nc(CNC(=O)Nc2cccc(F)c2C)cs1.
What is the InChIKey of 1-(3-fluoro-2-methylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea?
The InChIKey is QHXPEHAPVVTONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4OS/c1-8-10(14)4-3-5-11(8)18-12(19)16-6-9-7-20-13(15-2)17-9/h3-5,7H,6H2,1-2H3,(H,15,17)(H2,16,18,19).
What are the key properties of 1-(3-fluoro-2-methylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea?
1-(3-fluoro-2-methylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea has a molecular weight of 294.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-methylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea is sourced from PubChem (CID 71857778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).