1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea

C7H8F3N3O2S — CID 106380586

IUPAC1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCc1csc(=O)[nH]1)NCC(F)(F)F
InChIInChI=1S/C7H8F3N3O2S/c8-7(9,10)3-12-5(14)11-1-4-2-16-6(15)13-4/h2H,1,3H2,(H,13,15)(H2,11,12,14)
InChIKeyBEJWPAPMIHHJNB-UHFFFAOYSA-N
MW255.22 g/mol
LogP0.80
Rot. Bonds3

About 1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea

1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 106380586) has the molecular formula C7H8F3N3O2S and a molecular weight of 255.22 g/mol. Its IUPAC name is 1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID106380586
Molecular FormulaC7H8F3N3O2S
Molecular Weight255.22 g/mol
Exact Mass255.03
IUPAC Name1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCc1csc(=O)[nH]1)NCC(F)(F)F
InChIInChI=1S/C7H8F3N3O2S/c8-7(9,10)3-12-5(14)11-1-4-2-16-6(15)13-4/h2H,1,3H2,(H,13,15)(H2,11,12,14)
InChIKeyBEJWPAPMIHHJNB-UHFFFAOYSA-N
XLogP0.80
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,2,2-trifluoroethylamino)methyl]-3H-1,3-thiazol-2-one
CID 103113133
4-[(3,3,3-trifluoropropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380737
4-[(2,2-difluoroethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380934
4-[[2-(2,2,2-trifluoroethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381860
1-cyclopropyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea
CID 103773337
1,1-diethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea
CID 103868110
1,1-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea
CID 104099444
1-butyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea
CID 106380584
1-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea
CID 106380590
(2-oxo-3H-1,3-thiazol-4-yl)methylurea
CID 106380591
1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-propan-2-ylurea
CID 106380594
1-ethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea
CID 106380597

Frequently Asked Questions

What is the IUPAC name of 1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea (CID 106380586) is 1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea is O=C(NCc1csc(=O)[nH]1)NCC(F)(F)F.
What is the InChIKey of 1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is BEJWPAPMIHHJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2S/c8-7(9,10)3-12-5(14)11-1-4-2-16-6(15)13-4/h2H,1,3H2,(H,13,15)(H2,11,12,14).
What are the key properties of 1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea?
1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 255.22 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 106380586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).