N-[2-[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]ethyl]carbamate

C8H7F3N3O3S- — CID 23115831

IUPACN-[2-[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]ethyl]carbamate
SMILESO=C([O-])NCCc1cnc(NC(=O)C(F)(F)F)s1
InChIInChI=1S/C8H8F3N3O3S/c9-8(10,11)5(15)14-6-13-3-4(18-6)1-2-12-7(16)17/h3,12H,1-2H2,(H,16,17)(H,13,14,15)/p-1
InChIKeyLAELVYDSSDPPIO-UHFFFAOYSA-M
MW282.22 g/mol
LogP0.12
Rot. Bonds4

About N-[2-[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]ethyl]carbamate

N-[2-[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]ethyl]carbamate (PubChem CID 23115831) has the molecular formula C8H7F3N3O3S- and a molecular weight of 282.22 g/mol. Its IUPAC name is N-[2-[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]ethyl]carbamate.

Molecular Properties

Compound NameN-[2-[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]ethyl]carbamate
PubChem CID23115831
Molecular FormulaC8H7F3N3O3S-
Molecular Weight282.22 g/mol
Exact Mass282.02
IUPAC NameN-[2-[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]ethyl]carbamate
SMILESO=C([O-])NCCc1cnc(NC(=O)C(F)(F)F)s1
InChIInChI=1S/C8H8F3N3O3S/c9-8(10,11)5(15)14-6-13-3-4(18-6)1-2-12-7(16)17/h3,12H,1-2H2,(H,16,17)(H,13,14,15)/p-1
InChIKeyLAELVYDSSDPPIO-UHFFFAOYSA-M
XLogP0.12
TPSA94.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]ethyl]carbamate?
The IUPAC name of N-[2-[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]ethyl]carbamate (CID 23115831) is N-[2-[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]ethyl]carbamate.
What is the SMILES notation for N-[2-[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]ethyl]carbamate?
The canonical SMILES for N-[2-[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]ethyl]carbamate is O=C([O-])NCCc1cnc(NC(=O)C(F)(F)F)s1.
What is the InChIKey of N-[2-[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]ethyl]carbamate?
The InChIKey is LAELVYDSSDPPIO-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8F3N3O3S/c9-8(10,11)5(15)14-6-13-3-4(18-6)1-2-12-7(16)17/h3,12H,1-2H2,(H,16,17)(H,13,14,15)/p-1.
What are the key properties of N-[2-[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]ethyl]carbamate?
N-[2-[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]ethyl]carbamate has a molecular weight of 282.22 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]ethyl]carbamate is sourced from PubChem (CID 23115831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).