2,2,2-trifluoroethyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate

C15H11F3N4O4S2 — CID 121466996

IUPAC2,2,2-trifluoroethyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
SMILESO=C(NC(=O)c1ccsc1NC(=O)C1Nc2cnccc2S1)OCC(F)(F)F
InChIInChI=1S/C15H11F3N4O4S2/c16-15(17,18)6-26-14(25)22-10(23)7-2-4-27-12(7)21-11(24)13-20-8-5-19-3-1-9(8)28-13/h1-5,13,20H,6H2,(H,21,24)(H,22,23,25)
InChIKeyXJBHEWVLDPRIKZ-UHFFFAOYSA-N
MW432.41 g/mol
LogP3.05
Rot. Bonds4

About 2,2,2-trifluoroethyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate

2,2,2-trifluoroethyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate (PubChem CID 121466996) has the molecular formula C15H11F3N4O4S2 and a molecular weight of 432.41 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
PubChem CID121466996
Molecular FormulaC15H11F3N4O4S2
Molecular Weight432.41 g/mol
Exact Mass432.02
IUPAC Name2,2,2-trifluoroethyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
SMILESO=C(NC(=O)c1ccsc1NC(=O)C1Nc2cnccc2S1)OCC(F)(F)F
InChIInChI=1S/C15H11F3N4O4S2/c16-15(17,18)6-26-14(25)22-10(23)7-2-4-27-12(7)21-11(24)13-20-8-5-19-3-1-9(8)28-13/h1-5,13,20H,6H2,(H,21,24)(H,22,23,25)
InChIKeyXJBHEWVLDPRIKZ-UHFFFAOYSA-N
XLogP3.05
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

3,3,3-trifluoropropyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121466983
propan-2-yl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121467112
[2-(trifluoromethyl)phenyl]methyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)-2,5-dihydrothiophene-3-carbonyl]carbamate
CID 121467105
ethyl N-[2-[(6-morpholin-4-yl-2,3-dihydro-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 121467118
ethyl N-[2-(2,3-dihydro-1,3-benzothiazole-2-carbonylamino)-5-phenylthiophene-3-carbonyl]carbamate
CID 121466828
ethyl N-[2-(pyrimidine-5-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121464823
ethyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)-5-fluorothiophene-3-carbonyl]carbamate
CID 121467114
ethyl N-[2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]thiophene-3-carbonyl]carbamate
CID 121465085
ethyl N-[2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carbonyl]carbamate
CID 7546528
ethyl N-[2-[(5-methylsulfonyl-2,3a,4,6,7,7a-hexahydro-1H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 121467011
ethyl N-[2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 7167142
2,2,2-trifluoroethyl N-(1,3-thiazol-2-ylmethyl)carbamate
CID 61066991

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate (CID 121466996) is 2,2,2-trifluoroethyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate is O=C(NC(=O)c1ccsc1NC(=O)C1Nc2cnccc2S1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?
The InChIKey is XJBHEWVLDPRIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O4S2/c16-15(17,18)6-26-14(25)22-10(23)7-2-4-27-12(7)21-11(24)13-20-8-5-19-3-1-9(8)28-13/h1-5,13,20H,6H2,(H,21,24)(H,22,23,25).
What are the key properties of 2,2,2-trifluoroethyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?
2,2,2-trifluoroethyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate has a molecular weight of 432.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 121466996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).