N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]adamantane-2-carboxamide

C17H24N2OS — CID 110445479

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]adamantane-2-carboxamide
SMILESCc1nc(CNC(=O)C2C3CC4CC(C3)CC2C4)sc1C
InChIInChI=1S/C17H24N2OS/c1-9-10(2)21-15(19-9)8-18-17(20)16-13-4-11-3-12(6-13)7-14(16)5-11/h11-14,16H,3-8H2,1-2H3,(H,18,20)
InChIKeyAPWYHEXPADTWJW-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.45
Rot. Bonds3

About N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]adamantane-2-carboxamide

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]adamantane-2-carboxamide (PubChem CID 110445479) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]adamantane-2-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]adamantane-2-carboxamide
PubChem CID110445479
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]adamantane-2-carboxamide
SMILESCc1nc(CNC(=O)C2C3CC4CC(C3)CC2C4)sc1C
InChIInChI=1S/C17H24N2OS/c1-9-10(2)21-15(19-9)8-18-17(20)16-13-4-11-3-12(6-13)7-14(16)5-11/h11-14,16H,3-8H2,1-2H3,(H,18,20)
InChIKeyAPWYHEXPADTWJW-UHFFFAOYSA-N
XLogP3.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]adamantane-2-carboxamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]adamantane-2-carboxamide (CID 110445479) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]adamantane-2-carboxamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]adamantane-2-carboxamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]adamantane-2-carboxamide is Cc1nc(CNC(=O)C2C3CC4CC(C3)CC2C4)sc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]adamantane-2-carboxamide?
The InChIKey is APWYHEXPADTWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-9-10(2)21-15(19-9)8-18-17(20)16-13-4-11-3-12(6-13)7-14(16)5-11/h11-14,16H,3-8H2,1-2H3,(H,18,20).
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]adamantane-2-carboxamide?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]adamantane-2-carboxamide has a molecular weight of 304.46 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]adamantane-2-carboxamide is sourced from PubChem (CID 110445479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).