(3R,5R)-3,5-dimethyl-N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]adamantane-1-carboxamide

C24H30N2OS — CID 98335894

IUPAC(3R,5R)-3,5-dimethyl-N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]adamantane-1-carboxamide
SMILESCc1cccc(-c2nc(CNC(=O)C34CC5C[C@@](C)(C3)C[C@@](C)(C5)C4)cs2)c1
InChIInChI=1S/C24H30N2OS/c1-16-5-4-6-18(7-16)20-26-19(12-28-20)11-25-21(27)24-10-17-8-22(2,14-24)13-23(3,9-17)15-24/h4-7,12,17H,8-11,13-15H2,1-3H3,(H,25,27)/t17?,22-,23-,24?/m1/s1
InChIKeyKQIKSPGRTXALGX-YMZQTHOJSA-N
MW394.58 g/mol
LogP5.73
Rot. Bonds4

About (3R,5R)-3,5-dimethyl-N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]adamantane-1-carboxamide

(3R,5R)-3,5-dimethyl-N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]adamantane-1-carboxamide (PubChem CID 98335894) has the molecular formula C24H30N2OS and a molecular weight of 394.58 g/mol. Its IUPAC name is (3R,5R)-3,5-dimethyl-N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]adamantane-1-carboxamide.

Molecular Properties

Compound Name(3R,5R)-3,5-dimethyl-N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]adamantane-1-carboxamide
PubChem CID98335894
Molecular FormulaC24H30N2OS
Molecular Weight394.58 g/mol
Exact Mass394.21
IUPAC Name(3R,5R)-3,5-dimethyl-N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]adamantane-1-carboxamide
SMILESCc1cccc(-c2nc(CNC(=O)C34CC5C[C@@](C)(C3)C[C@@](C)(C5)C4)cs2)c1
InChIInChI=1S/C24H30N2OS/c1-16-5-4-6-18(7-16)20-26-19(12-28-20)11-25-21(27)24-10-17-8-22(2,14-24)13-23(3,9-17)15-24/h4-7,12,17H,8-11,13-15H2,1-3H3,(H,25,27)/t17?,22-,23-,24?/m1/s1
InChIKeyKQIKSPGRTXALGX-YMZQTHOJSA-N
XLogP5.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.58
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,5R)-3,5-dimethyl-N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]adamantane-1-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17438306
3-acetamido-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]adamantane-1-carboxamide
CID 17485108
3-(dimethylamino)-N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-1-carboxamide;formic acid
CID 154908373
(3S,5S)-N-[(4-hydroxyphenyl)methyl]-3,5-dimethyladamantane-1-carboxamide
CID 98237435
N-[(4-hydroxyphenyl)methyl]-3,5-dimethyladamantane-1-carboxamide
CID 46982222
N-[2-(ethylamino)ethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119509228
3,5-dimethyl-N-(pyridin-3-ylmethyl)adamantane-1-carboxamide
CID 6468967
N-(furan-2-ylmethyl)-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333440
1,1-dimethyl-3-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea
CID 110317337
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-(3-methylpiperazin-1-yl)ethanone;dihydrochloride
CID 119580568
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide
CID 119464312
N,N-diethyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 78809222

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3,5-dimethyl-N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]adamantane-1-carboxamide?
The IUPAC name of (3R,5R)-3,5-dimethyl-N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]adamantane-1-carboxamide (CID 98335894) is (3R,5R)-3,5-dimethyl-N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]adamantane-1-carboxamide.
What is the SMILES notation for (3R,5R)-3,5-dimethyl-N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]adamantane-1-carboxamide?
The canonical SMILES for (3R,5R)-3,5-dimethyl-N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]adamantane-1-carboxamide is Cc1cccc(-c2nc(CNC(=O)C34CC5C[C@@](C)(C3)C[C@@](C)(C5)C4)cs2)c1.
What is the InChIKey of (3R,5R)-3,5-dimethyl-N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]adamantane-1-carboxamide?
The InChIKey is KQIKSPGRTXALGX-YMZQTHOJSA-N. The full InChI is InChI=1S/C24H30N2OS/c1-16-5-4-6-18(7-16)20-26-19(12-28-20)11-25-21(27)24-10-17-8-22(2,14-24)13-23(3,9-17)15-24/h4-7,12,17H,8-11,13-15H2,1-3H3,(H,25,27)/t17?,22-,23-,24?/m1/s1.
What are the key properties of (3R,5R)-3,5-dimethyl-N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]adamantane-1-carboxamide?
(3R,5R)-3,5-dimethyl-N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]adamantane-1-carboxamide has a molecular weight of 394.58 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3,5-dimethyl-N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]adamantane-1-carboxamide is sourced from PubChem (CID 98335894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).