(3R,5S)-3,5-dimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide

C16H22N2OS — CID 878630

IUPAC(3R,5S)-3,5-dimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
SMILESC[C@]12CC3CC(C(=O)Nc4nccs4)(C1)C[C@@](C)(C3)C2
InChIInChI=1S/C16H22N2OS/c1-14-5-11-6-15(2,8-14)10-16(7-11,9-14)12(19)18-13-17-3-4-20-13/h3-4,11H,5-10H2,1-2H3,(H,17,18,19)/t11?,14-,15+,16?
InChIKeyQROVOHXOZKHQOA-ZDELEMRZSA-N
MW290.43 g/mol
LogP4.08
Rot. Bonds2

About (3R,5S)-3,5-dimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide

(3R,5S)-3,5-dimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide (PubChem CID 878630) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is (3R,5S)-3,5-dimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide.

Molecular Properties

Compound Name(3R,5S)-3,5-dimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
PubChem CID878630
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name(3R,5S)-3,5-dimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
SMILESC[C@]12CC3CC(C(=O)Nc4nccs4)(C1)C[C@@](C)(C3)C2
InChIInChI=1S/C16H22N2OS/c1-14-5-11-6-15(2,8-14)10-16(7-11,9-14)12(19)18-13-17-3-4-20-13/h3-4,11H,5-10H2,1-2H3,(H,17,18,19)/t11?,14-,15+,16?
InChIKeyQROVOHXOZKHQOA-ZDELEMRZSA-N
XLogP4.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-cyano-1,3-thiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide
CID 85472605
3-acetamido-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 2999599
(3R,5S)-N-(1,3-benzothiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide
CID 971289
4-(methoxymethyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 114041967
3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 24536593
(3R,5R)-3,5-dimethyl-N-(2,3,5,6-tetrafluorophenyl)adamantane-1-carboxamide
CID 98328149
(3S)-3-methyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 129369013
3,5-dimethyl-N-(1,2-oxazol-3-yl)adamantane-1-carboxamide
CID 6469518
(3R,5S)-N-(2,5-dichlorophenyl)-3,5-dimethyladamantane-1-carboxamide
CID 2130210
3-ethyl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 63140720
N-(3-acetamidophenyl)-3,5-dimethyladamantane-1-carboxamide
CID 17168267
2-oxo-N-(1,3-thiazol-2-yl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
CID 108520035

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3,5-dimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide?
The IUPAC name of (3R,5S)-3,5-dimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide (CID 878630) is (3R,5S)-3,5-dimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide.
What is the SMILES notation for (3R,5S)-3,5-dimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide?
The canonical SMILES for (3R,5S)-3,5-dimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide is C[C@]12CC3CC(C(=O)Nc4nccs4)(C1)C[C@@](C)(C3)C2.
What is the InChIKey of (3R,5S)-3,5-dimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide?
The InChIKey is QROVOHXOZKHQOA-ZDELEMRZSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-14-5-11-6-15(2,8-14)10-16(7-11,9-14)12(19)18-13-17-3-4-20-13/h3-4,11H,5-10H2,1-2H3,(H,17,18,19)/t11?,14-,15+,16?.
What are the key properties of (3R,5S)-3,5-dimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide?
(3R,5S)-3,5-dimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide has a molecular weight of 290.43 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3,5-dimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide is sourced from PubChem (CID 878630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).