N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide

C12H13F3N2O2S — CID 139013342

IUPACN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide
SMILESO=C(Nc1nc2c(s1)COCC2)C1(C(F)(F)F)CCC1
InChIInChI=1S/C12H13F3N2O2S/c13-12(14,15)11(3-1-4-11)9(18)17-10-16-7-2-5-19-6-8(7)20-10/h1-6H2,(H,16,17,18)
InChIKeyRLMXUXKWMYWZKL-UHFFFAOYSA-N
MW306.31 g/mol
LogP2.89
Rot. Bonds2

About N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide

N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide (PubChem CID 139013342) has the molecular formula C12H13F3N2O2S and a molecular weight of 306.31 g/mol. Its IUPAC name is N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide
PubChem CID139013342
Molecular FormulaC12H13F3N2O2S
Molecular Weight306.31 g/mol
Exact Mass306.06
IUPAC NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide
SMILESO=C(Nc1nc2c(s1)COCC2)C1(C(F)(F)F)CCC1
InChIInChI=1S/C12H13F3N2O2S/c13-12(14,15)11(3-1-4-11)9(18)17-10-16-7-2-5-19-6-8(7)20-10/h1-6H2,(H,16,17,18)
InChIKeyRLMXUXKWMYWZKL-UHFFFAOYSA-N
XLogP2.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide with MolForge

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Related Compounds

N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)adamantane-1-carboxamide
CID 90543549
cis-(1S,2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 95996942
(2R)-2-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide
CID 119317046
4-(aminomethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxane-4-carboxamide
CID 115439503
3-cyclohexyl-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide
CID 90543548
3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide;hydrochloride
CID 119317032
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(methylamino)acetamide;hydrochloride
CID 119772312
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)pyrrolidine-2-carboxamide
CID 119317036
1-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclobutane-1-carboxamide
CID 81168772
3-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)oxolane-3-carboxamide
CID 64893407
4-(aminomethyl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)benzamide
CID 119317040
(1R,5S)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 154846520

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The IUPAC name of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide (CID 139013342) is N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide is O=C(Nc1nc2c(s1)COCC2)C1(C(F)(F)F)CCC1.
What is the InChIKey of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The InChIKey is RLMXUXKWMYWZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2S/c13-12(14,15)11(3-1-4-11)9(18)17-10-16-7-2-5-19-6-8(7)20-10/h1-6H2,(H,16,17,18).
What are the key properties of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide?
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide has a molecular weight of 306.31 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 139013342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).