cis-(1S,2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylcyclopropane-1-carboxamide

C11H14N2O2S — CID 95996942

IUPACcis-(1S,2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@@H]1C(=O)Nc1nc2c(s1)COCC2
InChIInChI=1S/C11H14N2O2S/c1-6-4-7(6)10(14)13-11-12-8-2-3-15-5-9(8)16-11/h6-7H,2-5H2,1H3,(H,12,13,14)/t6-,7+/m1/s1
InChIKeyFODJUYCEWXMXHO-RQJHMYQMSA-N
MW238.31 g/mol
LogP1.81
Rot. Bonds2

About cis-(1S,2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylcyclopropane-1-carboxamide

cis-(1S,2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylcyclopropane-1-carboxamide (PubChem CID 95996942) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is cis-(1S,2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylcyclopropane-1-carboxamide
PubChem CID95996942
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Namecis-(1S,2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@@H]1C(=O)Nc1nc2c(s1)COCC2
InChIInChI=1S/C11H14N2O2S/c1-6-4-7(6)10(14)13-11-12-8-2-3-15-5-9(8)16-11/h6-7H,2-5H2,1H3,(H,12,13,14)/t6-,7+/m1/s1
InChIKeyFODJUYCEWXMXHO-RQJHMYQMSA-N
XLogP1.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1S,2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylcyclopropane-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
3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)cyclopentane-1-carboxamide
CID 119772305
(2R)-2-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide
CID 119317046
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
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 126815519
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)cyclohex-3-ene-1-carboxamide
CID 90543695
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119317027
(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
3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide;hydrochloride
CID 119317032
cis-(1S,2R)-2-methyl-N-[(6S)-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
CID 100850122
cis-(1S,2R)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 94226301

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylcyclopropane-1-carboxamide (CID 95996942) is cis-(1S,2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylcyclopropane-1-carboxamide is C[C@@H]1C[C@@H]1C(=O)Nc1nc2c(s1)COCC2.
What is the InChIKey of cis-(1S,2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is FODJUYCEWXMXHO-RQJHMYQMSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-6-4-7(6)10(14)13-11-12-8-2-3-15-5-9(8)16-11/h6-7H,2-5H2,1H3,(H,12,13,14)/t6-,7+/m1/s1.
What are the key properties of cis-(1S,2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylcyclopropane-1-carboxamide?
cis-(1S,2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 238.31 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 95996942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).