2-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide

C15H20N2OS — CID 69389033

IUPAC2-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide
SMILESNC(=O)C12CC3CC(CC(C3)C1Cc1cncs1)C2
InChIInChI=1S/C15H20N2OS/c16-14(18)15-5-9-1-10(6-15)3-11(2-9)13(15)4-12-7-17-8-19-12/h7-11,13H,1-6H2,(H2,16,18)
InChIKeyYMTXZYKPKOFENB-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.61
Rot. Bonds3

About 2-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide

2-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide (PubChem CID 69389033) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide.

Molecular Properties

Compound Name2-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide
PubChem CID69389033
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name2-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide
SMILESNC(=O)C12CC3CC(CC(C3)C1Cc1cncs1)C2
InChIInChI=1S/C15H20N2OS/c16-14(18)15-5-9-1-10(6-15)3-11(2-9)13(15)4-12-7-17-8-19-12/h7-11,13H,1-6H2,(H2,16,18)
InChIKeyYMTXZYKPKOFENB-UHFFFAOYSA-N
XLogP2.61
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R,2S,6R)-1,2-dimethyl-6-(1,3-thiazol-5-ylmethyl)cyclohexyl]but-2-yn-1-one
CID 162402625
3-(1,3-Thiazol-5-ylmethyl)adamantane-1-carboxamide
CID 69389028
2-(2-Cyclohexyl-1,3-thiazol-5-yl)-1-methylcyclobutane-1-carboxamide
CID 155622144
1-[5-[(1R,2S)-2-methylcyclohexyl]-1,3-thiazol-2-yl]cyclobutane-1-carboxamide
CID 155622156
1-[5-[(1R,2R)-2-methylcyclohexyl]-1,3-thiazol-2-yl]cyclobutane-1-carboxamide
CID 155622159
2-(5-Cyclohexyl-1,3-thiazol-2-yl)-1-methylcyclobutane-1-carboxamide
CID 155622164
1-[5-[(1S,2R)-2-methylcyclohexyl]-1,3-thiazol-2-yl]cyclobutane-1-carboxamide
CID 155622180
1-[5-[(1S,2S)-2-methylcyclohexyl]-1,3-thiazol-2-yl]cyclobutane-1-carboxamide
CID 155622187
2-(2-Cyclohexyl-1,3-thiazol-5-yl)-1-ethylcyclobutane-1-carboxamide
CID 155622190
2-(1-adamantyl)-N-[1-methyl-2-(1,3-thiazol-5-yl)ethyl]acetamide
CID 70744185
2-(1-adamantyl)-N-[(2S)-1-(1,3-thiazol-5-yl)propan-2-yl]acetamide
CID 97130797
2-(1-adamantyl)-N-[(2R)-1-(1,3-thiazol-5-yl)propan-2-yl]acetamide
CID 97130798

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide?
The IUPAC name of 2-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide (CID 69389033) is 2-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide.
What is the SMILES notation for 2-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide?
The canonical SMILES for 2-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide is NC(=O)C12CC3CC(CC(C3)C1Cc1cncs1)C2.
What is the InChIKey of 2-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide?
The InChIKey is YMTXZYKPKOFENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c16-14(18)15-5-9-1-10(6-15)3-11(2-9)13(15)4-12-7-17-8-19-12/h7-11,13H,1-6H2,(H2,16,18).
What are the key properties of 2-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide?
2-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide has a molecular weight of 276.40 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide is sourced from PubChem (CID 69389033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).