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

C16H13F3N4O4S2 — CID 121466983

IUPAC3,3,3-trifluoropropyl 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)OCCC(F)(F)F
InChIInChI=1S/C16H13F3N4O4S2/c17-16(18,19)3-5-27-15(26)23-11(24)8-2-6-28-13(8)22-12(25)14-21-9-7-20-4-1-10(9)29-14/h1-2,4,6-7,14,21H,3,5H2,(H,22,25)(H,23,24,26)
InChIKeyLVRWCSGMGPYUPY-UHFFFAOYSA-N
MW446.43 g/mol
LogP3.44
Rot. Bonds5

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

3,3,3-trifluoropropyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate (PubChem CID 121466983) has the molecular formula C16H13F3N4O4S2 and a molecular weight of 446.43 g/mol. Its IUPAC name is 3,3,3-trifluoropropyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Name3,3,3-trifluoropropyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
PubChem CID121466983
Molecular FormulaC16H13F3N4O4S2
Molecular Weight446.43 g/mol
Exact Mass446.03
IUPAC Name3,3,3-trifluoropropyl 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)OCCC(F)(F)F
InChIInChI=1S/C16H13F3N4O4S2/c17-16(18,19)3-5-27-15(26)23-11(24)8-2-6-28-13(8)22-12(25)14-21-9-7-20-4-1-10(9)29-14/h1-2,4,6-7,14,21H,3,5H2,(H,22,25)(H,23,24,26)
InChIKeyLVRWCSGMGPYUPY-UHFFFAOYSA-N
XLogP3.44
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.43
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2,2,2-trifluoroethyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121466996
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-(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-(pyrimidine-5-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121464823
2-[ethyl(methyl)amino]ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121467082
N-[3-(2-oxo-1,3-oxazolidine-3-carbonyl)thiophen-2-yl]-2,3-dihydro-1,3-benzothiazole-2-carboxamide
CID 121467016
ethyl N-[2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carbonyl]carbamate
CID 7546528
ethyl N-[2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 7167142

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoropropyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?
The IUPAC name of 3,3,3-trifluoropropyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate (CID 121466983) is 3,3,3-trifluoropropyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate.
What is the SMILES notation for 3,3,3-trifluoropropyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?
The canonical SMILES for 3,3,3-trifluoropropyl 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)OCCC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoropropyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?
The InChIKey is LVRWCSGMGPYUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O4S2/c17-16(18,19)3-5-27-15(26)23-11(24)8-2-6-28-13(8)22-12(25)14-21-9-7-20-4-1-10(9)29-14/h1-2,4,6-7,14,21H,3,5H2,(H,22,25)(H,23,24,26).
What are the key properties of 3,3,3-trifluoropropyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?
3,3,3-trifluoropropyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate has a molecular weight of 446.43 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoropropyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 121466983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).