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

C18H26N2OS — CID 3107305

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)adamantane-1-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C18H26N2OS/c1-17(2,3)14-10-22-16(19-14)20-15(21)18-7-11-4-12(8-18)6-13(5-11)9-18/h10-13H,4-9H2,1-3H3,(H,19,20,21)
InChIKeyXWPUIBMBHMUWGI-UHFFFAOYSA-N
MW318.49 g/mol
LogP4.60
Rot. Bonds2

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

N-(4-tert-butyl-1,3-thiazol-2-yl)adamantane-1-carboxamide (PubChem CID 3107305) has the molecular formula C18H26N2OS and a molecular weight of 318.49 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)adamantane-1-carboxamide
PubChem CID3107305
Molecular FormulaC18H26N2OS
Molecular Weight318.49 g/mol
Exact Mass318.18
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)adamantane-1-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C18H26N2OS/c1-17(2,3)14-10-22-16(19-14)20-15(21)18-7-11-4-12(8-18)6-13(5-11)9-18/h10-13H,4-9H2,1-3H3,(H,19,20,21)
InChIKeyXWPUIBMBHMUWGI-UHFFFAOYSA-N
XLogP4.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)adamantane-1-carboxamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)adamantane-1-carboxamide (CID 3107305) is N-(4-tert-butyl-1,3-thiazol-2-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)adamantane-1-carboxamide is CC(C)(C)c1csc(NC(=O)C23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)adamantane-1-carboxamide?
The InChIKey is XWPUIBMBHMUWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2OS/c1-17(2,3)14-10-22-16(19-14)20-15(21)18-7-11-4-12(8-18)6-13(5-11)9-18/h10-13H,4-9H2,1-3H3,(H,19,20,21).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)adamantane-1-carboxamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)adamantane-1-carboxamide has a molecular weight of 318.49 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)adamantane-1-carboxamide is sourced from PubChem (CID 3107305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).