2,2,2-trifluoroethyl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate

C9H9F3N2O2S — CID 50989391

IUPAC2,2,2-trifluoroethyl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate
SMILESO=C(Nc1nc(C2CC2)cs1)OCC(F)(F)F
InChIInChI=1S/C9H9F3N2O2S/c10-9(11,12)4-16-8(15)14-7-13-6(3-17-7)5-1-2-5/h3,5H,1-2,4H2,(H,13,14,15)
InChIKeyHRPZFRZWHMBNMO-UHFFFAOYSA-N
MW266.24 g/mol
LogP3.13
Rot. Bonds3

About 2,2,2-trifluoroethyl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate

2,2,2-trifluoroethyl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate (PubChem CID 50989391) has the molecular formula C9H9F3N2O2S and a molecular weight of 266.24 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate
PubChem CID50989391
Molecular FormulaC9H9F3N2O2S
Molecular Weight266.24 g/mol
Exact Mass266.03
IUPAC Name2,2,2-trifluoroethyl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate
SMILESO=C(Nc1nc(C2CC2)cs1)OCC(F)(F)F
InChIInChI=1S/C9H9F3N2O2S/c10-9(11,12)4-16-8(15)14-7-13-6(3-17-7)5-1-2-5/h3,5H,1-2,4H2,(H,13,14,15)
InChIKeyHRPZFRZWHMBNMO-UHFFFAOYSA-N
XLogP3.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3,3,3-tetrafluoro-2-methoxypropanamide
CID 3890722
methyl N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,3,3-trifluoro-2-(propanoylamino)alaninate
CID 4260667
ethyl N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoroalaninate
CID 4402167
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86812543
tert-butyl N-[4-(1-fluoro-4-oxopentan-3-yl)-1,3-thiazol-2-yl]carbamate
CID 58126696
tert-butyl N-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]carbamate
CID 130441269
methyl N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,3,3-trifluoro-2-propanamidoalaninate
CID 1825266
methyl (2S)-2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-3,3,3-trifluoro-2-(propanoylamino)propanoate
CID 1825267
(2R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3,3,3-tetrafluoro-2-methoxypropanamide
CID 7282730
(2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3,3,3-tetrafluoro-2-methoxypropanamide
CID 7282731
ethyl (2S)-2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-(ethoxycarbonylamino)-3,3,3-trifluoropropanoate
CID 7282736
ethyl (2R)-2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-(ethoxycarbonylamino)-3,3,3-trifluoropropanoate
CID 7282737

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate (CID 50989391) is 2,2,2-trifluoroethyl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate is O=C(Nc1nc(C2CC2)cs1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is HRPZFRZWHMBNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2S/c10-9(11,12)4-16-8(15)14-7-13-6(3-17-7)5-1-2-5/h3,5H,1-2,4H2,(H,13,14,15).
What are the key properties of 2,2,2-trifluoroethyl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate?
2,2,2-trifluoroethyl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 266.24 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(4-cyclopropyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 50989391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).