2-[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]ethylcarbamic acid

C8H8F3N3O3S — CID 23115832

IUPAC2-[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]ethylcarbamic acid
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)
InChIKeyLAELVYDSSDPPIO-UHFFFAOYSA-N
MW283.23 g/mol
LogP1.45
Rot. Bonds4

About 2-[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]ethylcarbamic acid

2-[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]ethylcarbamic acid (PubChem CID 23115832) has the molecular formula C8H8F3N3O3S and a molecular weight of 283.23 g/mol. Its IUPAC name is 2-[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]ethylcarbamic acid
PubChem CID23115832
Molecular FormulaC8H8F3N3O3S
Molecular Weight283.23 g/mol
Exact Mass283.02
IUPAC Name2-[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]ethylcarbamic acid
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)
InChIKeyLAELVYDSSDPPIO-UHFFFAOYSA-N
XLogP1.45
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.23
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[N'-[3-(2-amino-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-pentylurea;bis(2,2,2-trifluoroacetic acid)
CID 168278470
tert-Butyl (5-(2-aminoethyl)thiazol-2-yl)carbamate
CID 45117855
N-(5-ethyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 71994018
N-(5-ethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
CID 12954380
[2-[(2,2,2-Trifluoroacetyl)amino]-1,3-thiazol-5-yl]methylcarbamic acid
CID 23115804
Tert-butyl (2-{2-[(trifluoroacetyl)amino]-1,3-thiazol-5-yl}ethyl)carbamate
CID 86612436
N-ethyl-5-methyl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
CID 87961106
N-(5-ethyl-1,3-thiazol-2-yl)acetamide
CID 822440
N-[2-[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]ethyl]carbamate
CID 23115831
2,2,2-trifluoroethyl N-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]carbamate
CID 47359696
3-(5-Ethyl-1,3-thiazol-2-yl)-1-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)urea
CID 109969929
3-[[5-(Trifluoromethyl)-1,3-thiazol-2-yl]carbamoylamino]propanoic acid
CID 122091221

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]ethylcarbamic acid?
The IUPAC name of 2-[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]ethylcarbamic acid (CID 23115832) is 2-[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]ethylcarbamic acid?
The canonical SMILES for 2-[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]ethylcarbamic acid is O=C(O)NCCc1cnc(NC(=O)C(F)(F)F)s1.
What is the InChIKey of 2-[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]ethylcarbamic acid?
The InChIKey is LAELVYDSSDPPIO-UHFFFAOYSA-N. 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).
What are the key properties of 2-[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]ethylcarbamic acid?
2-[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]ethylcarbamic acid has a molecular weight of 283.23 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]ethylcarbamic acid is sourced from PubChem (CID 23115832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).