1-(aminomethylidene)-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]urea

C7H7F3N4OS — CID 174738730

IUPAC1-(aminomethylidene)-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]urea
SMILESNC=NC(=O)NCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C7H7F3N4OS/c8-7(9,10)5-12-1-4(16-5)2-13-6(15)14-3-11/h1,3H,2H2,(H3,11,13,14,15)
InChIKeyBQJMDLFWRHNVSL-UHFFFAOYSA-N
MW252.22 g/mol
LogP1.36
Rot. Bonds2

About 1-(aminomethylidene)-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]urea

1-(aminomethylidene)-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]urea (PubChem CID 174738730) has the molecular formula C7H7F3N4OS and a molecular weight of 252.22 g/mol. Its IUPAC name is 1-(aminomethylidene)-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]urea.

Molecular Properties

Compound Name1-(aminomethylidene)-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]urea
PubChem CID174738730
Molecular FormulaC7H7F3N4OS
Molecular Weight252.22 g/mol
Exact Mass252.03
IUPAC Name1-(aminomethylidene)-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]urea
SMILESNC=NC(=O)NCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C7H7F3N4OS/c8-7(9,10)5-12-1-4(16-5)2-13-6(15)14-3-11/h1,3H,2H2,(H3,11,13,14,15)
InChIKeyBQJMDLFWRHNVSL-UHFFFAOYSA-N
XLogP1.36
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-((2-Chloro-5-thiazolyl)methyl)-N'-methylurea
CID 71372718
[(2-Chloro-1,3-thiazol-5-yl)methyl]urea
CID 53236471
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 19046697
1-Cyclobutyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(3,3,3-trifluoropropyl)urea
CID 71922880
2,2,2-trifluoro-N-(1,3-thiazol-5-ylmethyl)acetamide
CID 104583481
6-Methyl-4-(methylthio)-1-{[2-(trifluoromethyl)thiazol-5-yl]methyl}-1,3,5-triazin-2 (1H)-one
CID 117839312
1-Carbamothioyl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]urea;[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 117839360
1-Carbamothioyl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]urea
CID 117839361
methyl N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylcarbamoyl]carbamimidothioate
CID 117839982
5-Sulfanylidene-2-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,2,4-triazin-3-one
CID 118190648
4,6-Dimethyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one
CID 122503382
methyl N'-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylcarbamoyl]carbamimidothioate
CID 123377786

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethylidene)-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]urea?
The IUPAC name of 1-(aminomethylidene)-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]urea (CID 174738730) is 1-(aminomethylidene)-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]urea.
What is the SMILES notation for 1-(aminomethylidene)-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]urea?
The canonical SMILES for 1-(aminomethylidene)-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]urea is NC=NC(=O)NCc1cnc(C(F)(F)F)s1.
What is the InChIKey of 1-(aminomethylidene)-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]urea?
The InChIKey is BQJMDLFWRHNVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N4OS/c8-7(9,10)5-12-1-4(16-5)2-13-6(15)14-3-11/h1,3H,2H2,(H3,11,13,14,15).
What are the key properties of 1-(aminomethylidene)-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]urea?
1-(aminomethylidene)-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]urea has a molecular weight of 252.22 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethylidene)-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]urea is sourced from PubChem (CID 174738730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).