1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]urea

C14H15F3N4OS — CID 46943931

IUPAC1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCN(C)Cc1csc(NC(=O)Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H15F3N4OS/c1-21(2)7-11-8-23-13(19-11)20-12(22)18-10-5-3-4-9(6-10)14(15,16)17/h3-6,8H,7H2,1-2H3,(H2,18,19,20,22)
InChIKeyKUJOGTBGVYCYHQ-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.87
Rot. Bonds4

About 1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]urea

1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 46943931) has the molecular formula C14H15F3N4OS and a molecular weight of 344.36 g/mol. Its IUPAC name is 1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID46943931
Molecular FormulaC14H15F3N4OS
Molecular Weight344.36 g/mol
Exact Mass344.09
IUPAC Name1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCN(C)Cc1csc(NC(=O)Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H15F3N4OS/c1-21(2)7-11-8-23-13(19-11)20-12(22)18-10-5-3-4-9(6-10)14(15,16)17/h3-6,8H,7H2,1-2H3,(H2,18,19,20,22)
InChIKeyKUJOGTBGVYCYHQ-UHFFFAOYSA-N
XLogP3.87
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-Phenyl-N'-(4-phenyl-2-thiazolyl)urea
CID 832542
4-tert-butyl-N-m-tolylthiazol-2-amine
CID 44411325
1-[4-(3,4-Difluorophenyl)-1,3-thiazol-2-yl]-3-phenylurea
CID 2810741
1-(2,4-Difluorophenyl)-3-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]urea
CID 2810744
(4-Methyl-thiazol-2-yl)-p-tolyl-amine
CID 786458
N-[4-(tert-butyl)-1,3-thiazol-2-yl]-N'-phenylurea
CID 1484524
4-phenyl-N-(4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)butyl)thiazol-2-amine
CID 11633992
N-[4-[2-[4-[(N'-ethylcarbamimidoyl)amino]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 21915171
N-(4-ethylphenyl)-4-methyl-1,3-thiazol-2-amine
CID 89033252
N-(4-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)anilino]methyl]piperidine-1-carboxamide
CID 145486036
N-[3-(2-Amino-4-thiazolyl)phenyl]acetamide
CID 2215374
2-p-Tolylamino-thiazole-4-carboxylic acid diethylamide
CID 654109

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]urea (CID 46943931) is 1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]urea is CN(C)Cc1csc(NC(=O)Nc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is KUJOGTBGVYCYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4OS/c1-21(2)7-11-8-23-13(19-11)20-12(22)18-10-5-3-4-9(6-10)14(15,16)17/h3-6,8H,7H2,1-2H3,(H2,18,19,20,22).
What are the key properties of 1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 344.36 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 46943931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).