ethyl N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate

C9H9F6N3O2S — CID 2264258

IUPACethyl N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate
SMILESCCOC(=O)NC(Nc1nccs1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H9F6N3O2S/c1-2-20-6(19)18-7(8(10,11)12,9(13,14)15)17-5-16-3-4-21-5/h3-4H,2H2,1H3,(H,16,17)(H,18,19)
InChIKeyGNRMFIZQARGMDG-UHFFFAOYSA-N
MW337.25 g/mol
LogP3.12
Rot. Bonds4

About ethyl N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate

ethyl N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate (PubChem CID 2264258) has the molecular formula C9H9F6N3O2S and a molecular weight of 337.25 g/mol. Its IUPAC name is ethyl N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate
PubChem CID2264258
Molecular FormulaC9H9F6N3O2S
Molecular Weight337.25 g/mol
Exact Mass337.03
IUPAC Nameethyl N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate
SMILESCCOC(=O)NC(Nc1nccs1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H9F6N3O2S/c1-2-20-6(19)18-7(8(10,11)12,9(13,14)15)17-5-16-3-4-21-5/h3-4H,2H2,1H3,(H,16,17)(H,18,19)
InChIKeyGNRMFIZQARGMDG-UHFFFAOYSA-N
XLogP3.12
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-Thiazolecarbamic acid, ethyl ester
CID 77241
Butyl 1,3-thiazol-2-ylcarbamate
CID 1562703
Ethyl 3,3,3-trifluoro-2-((isopropoxycarbonyl)amino)-2-(thiazol-2-ylamino)propanoate
CID 658005
1-(1,3-Thiazol-2-yl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
CID 659736
O-ethyl [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylmethanethioate
CID 2345751
1-(1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 659926
tert-butyl N-(1,3-thiazol-2-yl)carbamate
CID 11858898
ethyl N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]carbamate
CID 155519423
2,2,2-trifluoroethyl N-(1,3-thiazol-2-yl)carbamate
CID 45792149
1-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 659677
propan-2-yl N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate
CID 2729329
Ethyl 3,3,3-trifluoro-2-(propoxycarbonylamino)-2-(1,3-thiazol-2-ylamino)propanoate
CID 2729812

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate?
The IUPAC name of ethyl N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate (CID 2264258) is ethyl N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate?
The canonical SMILES for ethyl N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate is CCOC(=O)NC(Nc1nccs1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of ethyl N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate?
The InChIKey is GNRMFIZQARGMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F6N3O2S/c1-2-20-6(19)18-7(8(10,11)12,9(13,14)15)17-5-16-3-4-21-5/h3-4H,2H2,1H3,(H,16,17)(H,18,19).
What are the key properties of ethyl N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate?
ethyl N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate has a molecular weight of 337.25 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate is sourced from PubChem (CID 2264258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).