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

C20H26N2O3S — CID 99989815

IUPAC(2R)-6-hydroxy-N,2,5,7,8-pentamethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydrochromene-2-carboxamide
SMILESCc1nc(CN(C)C(=O)[C@@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)cs1
InChIInChI=1S/C20H26N2O3S/c1-11-12(2)18-16(13(3)17(11)23)7-8-20(5,25-18)19(24)22(6)9-15-10-26-14(4)21-15/h10,23H,7-9H2,1-6H3/t20-/m1/s1
InChIKeyAWAPSWBMUNBFKI-HXUWFJFHSA-N
MW374.51 g/mol
LogP3.82
Rot. Bonds3

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

(2R)-6-hydroxy-N,2,5,7,8-pentamethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydrochromene-2-carboxamide (PubChem CID 99989815) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is (2R)-6-hydroxy-N,2,5,7,8-pentamethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydrochromene-2-carboxamide.

Molecular Properties

Compound Name(2R)-6-hydroxy-N,2,5,7,8-pentamethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydrochromene-2-carboxamide
PubChem CID99989815
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name(2R)-6-hydroxy-N,2,5,7,8-pentamethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydrochromene-2-carboxamide
SMILESCc1nc(CN(C)C(=O)[C@@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)cs1
InChIInChI=1S/C20H26N2O3S/c1-11-12(2)18-16(13(3)17(11)23)7-8-20(5,25-18)19(24)22(6)9-15-10-26-14(4)21-15/h10,23H,7-9H2,1-6H3/t20-/m1/s1
InChIKeyAWAPSWBMUNBFKI-HXUWFJFHSA-N
XLogP3.82
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-6-hydroxy-N,2,5,7,8-pentamethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydrochromene-2-carboxamide with MolForge

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Related Compounds

(2R)-6-hydroxy-N',N',2,5,7,8-hexamethyl-3,4-dihydrochromene-2-carbohydrazide
CID 11779110
1-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119841638
1-(aminomethyl)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide
CID 115442008
6-hydroxy-2,5,7,8-tetramethyl-N-[(4-methylthiadiazol-5-yl)methyl]-3,4-dihydrochromene-2-carboxamide
CID 91782940
2-(diethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 86855478
4-(dimethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47451144
2-hydroxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47442970
1-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one
CID 62044439
5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688383
(2R)-5-amino-2-[[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl]amino]pentanoic acid
CID 140931004
N-[2-[[2-(1-aminoethylideneamino)acetyl]amino]ethyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide;hydrochloride
CID 72948563
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 42609218

Frequently Asked Questions

What is the IUPAC name of (2R)-6-hydroxy-N,2,5,7,8-pentamethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydrochromene-2-carboxamide?
The IUPAC name of (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) is (2R)-6-hydroxy-N,2,5,7,8-pentamethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydrochromene-2-carboxamide.
What is the SMILES notation for (2R)-6-hydroxy-N,2,5,7,8-pentamethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydrochromene-2-carboxamide?
The canonical SMILES for (2R)-6-hydroxy-N,2,5,7,8-pentamethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydrochromene-2-carboxamide is Cc1nc(CN(C)C(=O)[C@@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)cs1.
What is the InChIKey of (2R)-6-hydroxy-N,2,5,7,8-pentamethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydrochromene-2-carboxamide?
The InChIKey is AWAPSWBMUNBFKI-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-11-12(2)18-16(13(3)17(11)23)7-8-20(5,25-18)19(24)22(6)9-15-10-26-14(4)21-15/h10,23H,7-9H2,1-6H3/t20-/m1/s1.
What are the key properties of (2R)-6-hydroxy-N,2,5,7,8-pentamethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydrochromene-2-carboxamide?
(2R)-6-hydroxy-N,2,5,7,8-pentamethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydrochromene-2-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-hydroxy-N,2,5,7,8-pentamethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydrochromene-2-carboxamide is sourced from PubChem (CID 99989815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).