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

C17H24N2OS — CID 110739344

IUPACN-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide
SMILESCc1cnc(CCNC(=O)C23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C17H24N2OS/c1-11-10-19-15(21-11)2-3-18-16(20)17-7-12-4-13(8-17)6-14(5-12)9-17/h10,12-14H,2-9H2,1H3,(H,18,20)
InChIKeyKRIBWKDAIZENLN-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.33
Rot. Bonds4

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

N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide (PubChem CID 110739344) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide
PubChem CID110739344
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide
SMILESCc1cnc(CCNC(=O)C23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C17H24N2OS/c1-11-10-19-15(21-11)2-3-18-16(20)17-7-12-4-13(8-17)6-14(5-12)9-17/h10,12-14H,2-9H2,1H3,(H,18,20)
InChIKeyKRIBWKDAIZENLN-UHFFFAOYSA-N
XLogP3.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-methyl-1,3-thiazol-2-yl)ethylurea
CID 130652199
N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]adamantane-1-carboxamide
CID 110400946
1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]urea
CID 97340824
N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]adamantane-1-carboxamide
CID 71789691
N-[[4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 37018670
N-[2-(1,3-oxazol-4-yl)ethyl]adamantane-1-carboxamide
CID 110721981
1-acetyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide
CID 110746479
1-cyclopropyl-1-(2-hydroxyethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 71867996
N-(cyclopentylmethyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 115907724
N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110739296
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]adamantane-1-carboxamide
CID 110717149
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 71868469

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide (CID 110739344) is N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide is Cc1cnc(CCNC(=O)C23CC4CC(CC(C4)C2)C3)s1.
What is the InChIKey of N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide?
The InChIKey is KRIBWKDAIZENLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-11-10-19-15(21-11)2-3-18-16(20)17-7-12-4-13(8-17)6-14(5-12)9-17/h10,12-14H,2-9H2,1H3,(H,18,20).
What are the key properties of N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide?
N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide has a molecular weight of 304.46 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 110739344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).