(2R)-6-hydroxy-2,5,7,8-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydrochromene-2-carboxamide

C20H26N2O3S — CID 124750425

IUPAC(2R)-6-hydroxy-2,5,7,8-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydrochromene-2-carboxamide
SMILESCc1ncsc1CCNC(=O)[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1
InChIInChI=1S/C20H26N2O3S/c1-11-12(2)18-15(13(3)17(11)23)6-8-20(5,25-18)19(24)21-9-7-16-14(4)22-10-26-16/h10,23H,6-9H2,1-5H3,(H,21,24)/t20-/m1/s1
InChIKeyCSWLPUQVEDYGJS-HXUWFJFHSA-N
MW374.51 g/mol
LogP3.52
Rot. Bonds4

About (2R)-6-hydroxy-2,5,7,8-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydrochromene-2-carboxamide

(2R)-6-hydroxy-2,5,7,8-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydrochromene-2-carboxamide (PubChem CID 124750425) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is (2R)-6-hydroxy-2,5,7,8-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydrochromene-2-carboxamide.

Molecular Properties

Compound Name(2R)-6-hydroxy-2,5,7,8-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydrochromene-2-carboxamide
PubChem CID124750425
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name(2R)-6-hydroxy-2,5,7,8-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydrochromene-2-carboxamide
SMILESCc1ncsc1CCNC(=O)[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1
InChIInChI=1S/C20H26N2O3S/c1-11-12(2)18-15(13(3)17(11)23)6-8-20(5,25-18)19(24)21-9-7-16-14(4)22-10-26-16/h10,23H,6-9H2,1-5H3,(H,21,24)/t20-/m1/s1
InChIKeyCSWLPUQVEDYGJS-HXUWFJFHSA-N
XLogP3.52
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.52
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
6-hydroxy-2,5,7,8-tetramethyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydrochromene-2-carboxamide
CID 138027758
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-(2H-tetrazol-5-yl)ethyl]-3,4-dihydrochromene-2-carboxamide
CID 124752463
(2R)-6-hydroxy-N',N',2,5,7,8-hexamethyl-3,4-dihydrochromene-2-carbohydrazide
CID 11779110
1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propan-1-one
CID 145405922
1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-2,2-dimethylpropan-1-one
CID 72523898
6-hydroxy-2,5,7,8-tetramethyl-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]-3,4-dihydrochromene-2-carboxamide
CID 118732691
methyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate;2-methylpropyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate
CID 158142227
2-(4-hydroxyphenyl)ethyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate
CID 139593914
N-[2-[5-(dithiolan-3-yl)pentanoylamino]ethyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
CID 10435297
1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethanone;methyl propanoate
CID 162758648

Frequently Asked Questions

What is the IUPAC name of (2R)-6-hydroxy-2,5,7,8-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydrochromene-2-carboxamide?
The IUPAC name of (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) is (2R)-6-hydroxy-2,5,7,8-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydrochromene-2-carboxamide.
What is the SMILES notation for (2R)-6-hydroxy-2,5,7,8-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydrochromene-2-carboxamide?
The canonical SMILES for (2R)-6-hydroxy-2,5,7,8-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydrochromene-2-carboxamide is Cc1ncsc1CCNC(=O)[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1.
What is the InChIKey of (2R)-6-hydroxy-2,5,7,8-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydrochromene-2-carboxamide?
The InChIKey is CSWLPUQVEDYGJS-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-11-12(2)18-15(13(3)17(11)23)6-8-20(5,25-18)19(24)21-9-7-16-14(4)22-10-26-16/h10,23H,6-9H2,1-5H3,(H,21,24)/t20-/m1/s1.
What are the key properties of (2R)-6-hydroxy-2,5,7,8-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydrochromene-2-carboxamide?
(2R)-6-hydroxy-2,5,7,8-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydrochromene-2-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-hydroxy-2,5,7,8-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydrochromene-2-carboxamide is sourced from PubChem (CID 124750425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).