2,2,2-trifluoroethyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate

C9H11F3N2O2S — CID 64687364

IUPAC2,2,2-trifluoroethyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate
SMILESCCC(NC(=O)OCC(F)(F)F)c1nccs1
InChIInChI=1S/C9H11F3N2O2S/c1-2-6(7-13-3-4-17-7)14-8(15)16-5-9(10,11)12/h3-4,6H,2,5H2,1H3,(H,14,15)
InChIKeyQSZCPNFPAYSHGJ-UHFFFAOYSA-N
MW268.26 g/mol
LogP2.88
Rot. Bonds4

About 2,2,2-trifluoroethyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate

2,2,2-trifluoroethyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate (PubChem CID 64687364) has the molecular formula C9H11F3N2O2S and a molecular weight of 268.26 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate
PubChem CID64687364
Molecular FormulaC9H11F3N2O2S
Molecular Weight268.26 g/mol
Exact Mass268.05
IUPAC Name2,2,2-trifluoroethyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate
SMILESCCC(NC(=O)OCC(F)(F)F)c1nccs1
InChIInChI=1S/C9H11F3N2O2S/c1-2-6(7-13-3-4-17-7)14-8(15)16-5-9(10,11)12/h3-4,6H,2,5H2,1H3,(H,14,15)
InChIKeyQSZCPNFPAYSHGJ-UHFFFAOYSA-N
XLogP2.88
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(s)-(-)-N-(t-butoxycarbonyl)-1-(2-thiazolyl)-2-methylpropylamine
CID 10956191
tert-butyl N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]carbamate
CID 91301086
(2R)-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 54244431
(2S)-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 54244432
tert-butyl N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)ethyl]carbamate
CID 118297268
2,2,2-trifluoroethyl N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]carbamate
CID 56785116
2,2,2-trifluoroethyl N-(1,3-thiazol-2-ylmethyl)carbamate
CID 61066991
2,2,2-trifluoroethyl N-[2-(1,3-thiazol-2-yl)ethyl]carbamate
CID 62198446
2,2,2-trifluoroethyl N-[1-(1,3-thiazol-2-yl)ethyl]carbamate
CID 63597934
2,2,2-trifluoro-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 63612919
2-[1-(1,3-thiazol-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 64480629
N-[1-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 64480833

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate (CID 64687364) is 2,2,2-trifluoroethyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate is CCC(NC(=O)OCC(F)(F)F)c1nccs1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate?
The InChIKey is QSZCPNFPAYSHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2S/c1-2-6(7-13-3-4-17-7)14-8(15)16-5-9(10,11)12/h3-4,6H,2,5H2,1H3,(H,14,15).
What are the key properties of 2,2,2-trifluoroethyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate?
2,2,2-trifluoroethyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate has a molecular weight of 268.26 g/mol, XLogP of 2.88, 4 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-[1-(1,3-thiazol-2-yl)propyl]carbamate is sourced from PubChem (CID 64687364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).