6-hydroxy-2,5,7,8-tetramethyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydrochromene-2-carboxamide

C18H22N2O3S — CID 138027758

IUPAC6-hydroxy-2,5,7,8-tetramethyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydrochromene-2-carboxamide
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCc1nccs1)O2
InChIInChI=1S/C18H22N2O3S/c1-10-11(2)16-13(12(3)15(10)21)5-6-18(4,23-16)17(22)20-9-14-19-7-8-24-14/h7-8,21H,5-6,9H2,1-4H3,(H,20,22)
InChIKeyPIBCKHJRMRFHHS-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.17
Rot. Bonds3

About 6-hydroxy-2,5,7,8-tetramethyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydrochromene-2-carboxamide

6-hydroxy-2,5,7,8-tetramethyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydrochromene-2-carboxamide (PubChem CID 138027758) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 6-hydroxy-2,5,7,8-tetramethyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydrochromene-2-carboxamide.

Molecular Properties

Compound Name6-hydroxy-2,5,7,8-tetramethyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydrochromene-2-carboxamide
PubChem CID138027758
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name6-hydroxy-2,5,7,8-tetramethyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydrochromene-2-carboxamide
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCc1nccs1)O2
InChIInChI=1S/C18H22N2O3S/c1-10-11(2)16-13(12(3)15(10)21)5-6-18(4,23-16)17(22)20-9-14-19-7-8-24-14/h7-8,21H,5-6,9H2,1-4H3,(H,20,22)
InChIKeyPIBCKHJRMRFHHS-UHFFFAOYSA-N
XLogP3.17
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydroxy-2,5,7,8-tetramethyl-N-[(4-methylthiadiazol-5-yl)methyl]-3,4-dihydrochromene-2-carboxamide
CID 91782940
(2R)-6-hydroxy-2,5,7,8-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydrochromene-2-carboxamide
CID 124750425
N-(2-aminoethyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide;hydrochloride
CID 72948200
(2R)-6-hydroxy-2,5,7,8-tetramethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydrochromene-2-carboxamide
CID 99973607
2,5,7,8-tetramethyl-2-[(1,3-thiazol-2-ylamino)methyl]-3,4-dihydrochromen-6-ol
CID 19024015
(2R)-6-hydroxy-N',N',2,5,7,8-hexamethyl-3,4-dihydrochromene-2-carbohydrazide
CID 11779110
6-hydroxy-2,5,7,8-tetramethyl-N-(3-morpholin-4-ylpropyl)-3,4-dihydrochromene-2-carboxamide
CID 67262981
N-[2-[[2-(1-aminoethylideneamino)acetyl]amino]ethyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide;hydrochloride
CID 72948563
(2R)-6-hydroxy-N,2,5,7,8-pentamethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydrochromene-2-carboxamide
CID 99989815
6-hydroxy-2,5,7,8-tetramethyl-N-[3-(2,3,3-trimethyl-5-sulfanylindol-1-ium-1-yl)propyl]-3,4-dihydrochromene-2-carboxamide
CID 123749355
(2S)-6-hydroxy-2,5,7,8-tetramethyl-N-[(3R)-piperidin-3-yl]-3,4-dihydrochromene-2-carboxamide
CID 72710875
4-ethyl-N-(1,3-thiazol-2-ylmethyl)oxane-4-carboxamide
CID 146131397

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,5,7,8-tetramethyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydrochromene-2-carboxamide?
The IUPAC name of 6-hydroxy-2,5,7,8-tetramethyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydrochromene-2-carboxamide (CID 138027758) is 6-hydroxy-2,5,7,8-tetramethyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydrochromene-2-carboxamide.
What is the SMILES notation for 6-hydroxy-2,5,7,8-tetramethyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydrochromene-2-carboxamide?
The canonical SMILES for 6-hydroxy-2,5,7,8-tetramethyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydrochromene-2-carboxamide is Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCc1nccs1)O2.
What is the InChIKey of 6-hydroxy-2,5,7,8-tetramethyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydrochromene-2-carboxamide?
The InChIKey is PIBCKHJRMRFHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-10-11(2)16-13(12(3)15(10)21)5-6-18(4,23-16)17(22)20-9-14-19-7-8-24-14/h7-8,21H,5-6,9H2,1-4H3,(H,20,22).
What are the key properties of 6-hydroxy-2,5,7,8-tetramethyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydrochromene-2-carboxamide?
6-hydroxy-2,5,7,8-tetramethyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydrochromene-2-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2,5,7,8-tetramethyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydrochromene-2-carboxamide is sourced from PubChem (CID 138027758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).