3,5,7-trimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide

C17H24N2OS — CID 4142732

IUPAC3,5,7-trimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
SMILESCC12CC3(C)CC(C)(C1)CC(C(=O)Nc1nccs1)(C2)C3
InChIInChI=1S/C17H24N2OS/c1-14-6-15(2)8-16(3,7-14)11-17(9-14,10-15)12(20)19-13-18-4-5-21-13/h4-5H,6-11H2,1-3H3,(H,18,19,20)
InChIKeyBPQUOPIMJKGMFD-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.47
Rot. Bonds2

About 3,5,7-trimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide

3,5,7-trimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide (PubChem CID 4142732) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 3,5,7-trimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide.

Molecular Properties

Compound Name3,5,7-trimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
PubChem CID4142732
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name3,5,7-trimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
SMILESCC12CC3(C)CC(C)(C1)CC(C(=O)Nc1nccs1)(C2)C3
InChIInChI=1S/C17H24N2OS/c1-14-6-15(2)8-16(3,7-14)11-17(9-14,10-15)12(20)19-13-18-4-5-21-13/h4-5H,6-11H2,1-3H3,(H,18,19,20)
InChIKeyBPQUOPIMJKGMFD-UHFFFAOYSA-N
XLogP4.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5,7-trimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide?
The IUPAC name of 3,5,7-trimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide (CID 4142732) is 3,5,7-trimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide.
What is the SMILES notation for 3,5,7-trimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide?
The canonical SMILES for 3,5,7-trimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide is CC12CC3(C)CC(C)(C1)CC(C(=O)Nc1nccs1)(C2)C3.
What is the InChIKey of 3,5,7-trimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide?
The InChIKey is BPQUOPIMJKGMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-14-6-15(2)8-16(3,7-14)11-17(9-14,10-15)12(20)19-13-18-4-5-21-13/h4-5H,6-11H2,1-3H3,(H,18,19,20).
What are the key properties of 3,5,7-trimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide?
3,5,7-trimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide has a molecular weight of 304.46 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide is sourced from PubChem (CID 4142732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).