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

C16H22N2OS — CID 2882356

IUPAC3,5-dimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
SMILESCC12CC3CC(C)(C1)CC(C(=O)Nc1nccs1)(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)
InChIKeyQROVOHXOZKHQOA-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.08
Rot. Bonds2

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

3,5-dimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide (PubChem CID 2882356) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 3,5-dimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
PubChem CID2882356
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name3,5-dimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
SMILESCC12CC3CC(C)(C1)CC(C(=O)Nc1nccs1)(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)
InChIKeyQROVOHXOZKHQOA-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide (CID 2882356) is 3,5-dimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide is CC12CC3CC(C)(C1)CC(C(=O)Nc1nccs1)(C3)C2.
What is the InChIKey of 3,5-dimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide?
The InChIKey is QROVOHXOZKHQOA-UHFFFAOYSA-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).
What are the key properties of 3,5-dimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide?
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 3,5-dimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide is sourced from PubChem (CID 2882356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).