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

C15H20N2OS — CID 68850926

IUPACN-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide
SMILESO=C(NCc1cncs1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H20N2OS/c18-14(17-8-13-7-16-9-19-13)15-4-10-1-11(5-15)3-12(2-10)6-15/h7,9-12H,1-6,8H2,(H,17,18)
InChIKeyVUKKOJRSEUMMKQ-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.98
Rot. Bonds3

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

N-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide (PubChem CID 68850926) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide
PubChem CID68850926
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide
SMILESO=C(NCc1cncs1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H20N2OS/c18-14(17-8-13-7-16-9-19-13)15-4-10-1-11(5-15)3-12(2-10)6-15/h7,9-12H,1-6,8H2,(H,17,18)
InChIKeyVUKKOJRSEUMMKQ-UHFFFAOYSA-N
XLogP2.98
TPSA41.99 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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 2805256
4-methyl-2-(1,3-thiazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114391406
1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carboxamide
CID 104579075
1-cyclohexyl-3-(1,3-thiazol-5-ylmethyl)urea
CID 104588445
2-hydroxy-N-(1,3-thiazol-5-ylmethyl)acetamide
CID 130927920
N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantane-1-carboxamide
CID 110368326
5-[(adamantane-1-carbonylamino)methyl]furan-2-carboxylic acid
CID 119245737
N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide
CID 32958884
4-[[1-(cyanoamino)-2-(3,3-difluoropiperidin-1-yl)-2-methylpropylidene]amino]-N-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide
CID 87441199
N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide
CID 16867478
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide
CID 16866721
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 N-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide?
The IUPAC name of N-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide (CID 68850926) is N-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide?
The canonical SMILES for N-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide is O=C(NCc1cncs1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide?
The InChIKey is VUKKOJRSEUMMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c18-14(17-8-13-7-16-9-19-13)15-4-10-1-11(5-15)3-12(2-10)6-15/h7,9-12H,1-6,8H2,(H,17,18).
What are the key properties of N-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide?
N-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide has a molecular weight of 276.40 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide is sourced from PubChem (CID 68850926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).