[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-5-yl] hydrogen carbonate

C12H8F3N3O5S — CID 90282270

IUPAC[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-5-yl] hydrogen carbonate
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ncc(OC(=O)O)s1
InChIInChI=1S/C12H8F3N3O5S/c13-12(14,15)23-7-3-1-6(2-4-7)17-9(19)18-10-16-5-8(24-10)22-11(20)21/h1-5H,(H,20,21)(H2,16,17,18,19)
InChIKeyQQFGJSDSYXVOKH-UHFFFAOYSA-N
MW363.27 g/mol
LogP3.74
Rot. Bonds4

About [2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-5-yl] hydrogen carbonate

[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-5-yl] hydrogen carbonate (PubChem CID 90282270) has the molecular formula C12H8F3N3O5S and a molecular weight of 363.27 g/mol. Its IUPAC name is [2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-5-yl] hydrogen carbonate.

Molecular Properties

Compound Name[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-5-yl] hydrogen carbonate
PubChem CID90282270
Molecular FormulaC12H8F3N3O5S
Molecular Weight363.27 g/mol
Exact Mass363.01
IUPAC Name[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-5-yl] hydrogen carbonate
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ncc(OC(=O)O)s1
InChIInChI=1S/C12H8F3N3O5S/c13-12(14,15)23-7-3-1-6(2-4-7)17-9(19)18-10-16-5-8(24-10)22-11(20)21/h1-5H,(H,20,21)(H2,16,17,18,19)
InChIKeyQQFGJSDSYXVOKH-UHFFFAOYSA-N
XLogP3.74
TPSA109.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.27
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-ethoxypyrimidin-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 122301912
1-(2-methoxypyrimidin-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 122301480
1-(3,5-difluorophenyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 71568254
1-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 115565023
2-amino-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
CID 141271002
N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride
CID 22420988
[4-(trifluoromethoxy)phenyl]urea
CID 2779224
(2R)-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid
CID 51428415
1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 11516527
3-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 23633123
1-(3,4,5,6-tetramethyl-2-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 149204916
N'-[4-(trifluoromethoxy)phenyl]propanediamide
CID 140529911

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-5-yl] hydrogen carbonate?
The IUPAC name of [2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-5-yl] hydrogen carbonate (CID 90282270) is [2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-5-yl] hydrogen carbonate.
What is the SMILES notation for [2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-5-yl] hydrogen carbonate?
The canonical SMILES for [2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-5-yl] hydrogen carbonate is O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ncc(OC(=O)O)s1.
What is the InChIKey of [2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-5-yl] hydrogen carbonate?
The InChIKey is QQFGJSDSYXVOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O5S/c13-12(14,15)23-7-3-1-6(2-4-7)17-9(19)18-10-16-5-8(24-10)22-11(20)21/h1-5H,(H,20,21)(H2,16,17,18,19).
What are the key properties of [2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-5-yl] hydrogen carbonate?
[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-5-yl] hydrogen carbonate has a molecular weight of 363.27 g/mol, XLogP of 3.74, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]-1,3-thiazol-5-yl] hydrogen carbonate is sourced from PubChem (CID 90282270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).