3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide

C21H24N2O2S — CID 24536593

IUPAC3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
SMILESCOc1ccc(C23CC4CC(CC(C(=O)Nc5nccs5)(C4)C2)C3)cc1
InChIInChI=1S/C21H24N2O2S/c1-25-17-4-2-16(3-5-17)20-9-14-8-15(10-20)12-21(11-14,13-20)18(24)23-19-22-6-7-26-19/h2-7,14-15H,8-13H2,1H3,(H,22,23,24)
InChIKeyDOEHRBCNLPMGPI-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.63
Rot. Bonds4

About 3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide

3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide (PubChem CID 24536593) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
PubChem CID24536593
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
SMILESCOc1ccc(C23CC4CC(CC(C(=O)Nc5nccs5)(C4)C2)C3)cc1
InChIInChI=1S/C21H24N2O2S/c1-25-17-4-2-16(3-5-17)20-9-14-8-15(10-20)12-21(11-14,13-20)18(24)23-19-22-6-7-26-19/h2-7,14-15H,8-13H2,1H3,(H,22,23,24)
InChIKeyDOEHRBCNLPMGPI-UHFFFAOYSA-N
XLogP4.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-3-(4-methylphenyl)adamantane-1-carboxamide
CID 2835994
2-[[3-(4-methoxyphenyl)adamantane-1-carbonyl]amino]benzoic acid
CID 23735496
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)adamantane-1-carboxamide
CID 4829318
(5R,7R)-3-(4-methoxyphenyl)-N-propan-2-yladamantane-1-carboxamide
CID 98138085
(5S,7S)-3-(4-methoxyphenyl)adamantane-1-carboxylic acid
CID 98044309
N-(2-cyclopropyl-2-oxoethyl)-3-(4-methoxyphenyl)adamantane-1-carboxamide
CID 127816461
3-acetamido-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 2999599
(5S,7S)-3-(4-methoxyphenyl)adamantane-1-carboxamide
CID 98079985
3-(4-methoxyphenyl)-N-piperidin-4-yladamantane-1-carboxamide
CID 130269489
(5S,7R)-3-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 7948017
(5S,7R)-3-(4-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]adamantane-1-carboxamide
CID 34835207
(3R,5S)-3,5-dimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 878630

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide (CID 24536593) is 3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide is COc1ccc(C23CC4CC(CC(C(=O)Nc5nccs5)(C4)C2)C3)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide?
The InChIKey is DOEHRBCNLPMGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-25-17-4-2-16(3-5-17)20-9-14-8-15(10-20)12-21(11-14,13-20)18(24)23-19-22-6-7-26-19/h2-7,14-15H,8-13H2,1H3,(H,22,23,24).
What are the key properties of 3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide?
3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide has a molecular weight of 368.50 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide is sourced from PubChem (CID 24536593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).