(1R)-5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C15H16N2O2S — CID 124622033

IUPAC(1R)-5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCc1csc(NC(=O)[C@@H]2CCCc3c(O)cccc32)n1
InChIInChI=1S/C15H16N2O2S/c1-9-8-20-15(16-9)17-14(19)12-6-2-5-11-10(12)4-3-7-13(11)18/h3-4,7-8,12,18H,2,5-6H2,1H3,(H,16,17,19)/t12-/m1/s1
InChIKeyVEZWAUICIURHAS-GFCCVEGCSA-N
MW288.37 g/mol
LogP3.22
Rot. Bonds2

About (1R)-5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

(1R)-5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 124622033) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is (1R)-5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name(1R)-5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID124622033
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name(1R)-5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCc1csc(NC(=O)[C@@H]2CCCc3c(O)cccc32)n1
InChIInChI=1S/C15H16N2O2S/c1-9-8-20-15(16-9)17-14(19)12-6-2-5-11-10(12)4-3-7-13(11)18/h3-4,7-8,12,18H,2,5-6H2,1H3,(H,16,17,19)/t12-/m1/s1
InChIKeyVEZWAUICIURHAS-GFCCVEGCSA-N
XLogP3.22
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylbenzoyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945800
5-hydroxy-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 126794225
ethane;N-(4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 143608697
trans-(1S,3S)-1-N,3-N-bis(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,3-dicarboxamide
CID 52526965
(2S)-N-(4-methyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 1086809
N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 18072813
N-cycloheptyl-N'-(4-methyl-1,3-thiazol-2-yl)oxamide
CID 44997302
N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 110689742
4-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17361667
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 54913172
2-N,6-N-bis(4-methyl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
CID 19684989
1-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 4129191

Frequently Asked Questions

What is the IUPAC name of (1R)-5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of (1R)-5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 124622033) is (1R)-5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for (1R)-5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for (1R)-5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is Cc1csc(NC(=O)[C@@H]2CCCc3c(O)cccc32)n1.
What is the InChIKey of (1R)-5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is VEZWAUICIURHAS-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-9-8-20-15(16-9)17-14(19)12-6-2-5-11-10(12)4-3-7-13(11)18/h3-4,7-8,12,18H,2,5-6H2,1H3,(H,16,17,19)/t12-/m1/s1.
What are the key properties of (1R)-5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
(1R)-5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 124622033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).