4-(2-adamantyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine

C21H26N2O2S — CID 118719853

IUPAC4-(2-adamantyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(C3C4CC5CC(C4)CC3C5)cs2)cc1OC
InChIInChI=1S/C21H26N2O2S/c1-24-18-4-3-16(10-19(18)25-2)22-21-23-17(11-26-21)20-14-6-12-5-13(8-14)9-15(20)7-12/h3-4,10-15,20H,5-9H2,1-2H3,(H,22,23)
InChIKeyUJALXDQUKUQEMV-UHFFFAOYSA-N
MW370.52 g/mol
LogP5.44
Rot. Bonds5

About 4-(2-adamantyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine

4-(2-adamantyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 118719853) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is 4-(2-adamantyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-adamantyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
PubChem CID118719853
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name4-(2-adamantyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(C3C4CC5CC(C4)CC3C5)cs2)cc1OC
InChIInChI=1S/C21H26N2O2S/c1-24-18-4-3-16(10-19(18)25-2)22-21-23-17(11-26-21)20-14-6-12-5-13(8-14)9-15(20)7-12/h3-4,10-15,20H,5-9H2,1-2H3,(H,22,23)
InChIKeyUJALXDQUKUQEMV-UHFFFAOYSA-N
XLogP5.44
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.52
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 79400359
N-cyclopropyl-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955471
4-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2877323
4-bromo-N-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 79400376
N-(3-bromo-4-methoxyphenyl)-4-chloro-1,3-thiazol-2-amine
CID 83156364
N-(3,4-dimethoxyphenyl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine
CID 58910748
N-(2-chlorophenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955416
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955474
4-(5-fluoro-2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 8962514
6-N-(3,4-dimethoxyphenyl)pyridine-2,3,6-triamine
CID 79823168
4-[2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carbonyl]piperazine-1-carbaldehyde
CID 16955481
N-(5-chloro-2-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955450

Frequently Asked Questions

What is the IUPAC name of 4-(2-adamantyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-adamantyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine (CID 118719853) is 4-(2-adamantyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-adamantyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-adamantyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine is COc1ccc(Nc2nc(C3C4CC5CC(C4)CC3C5)cs2)cc1OC.
What is the InChIKey of 4-(2-adamantyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is UJALXDQUKUQEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-24-18-4-3-16(10-19(18)25-2)22-21-23-17(11-26-21)20-14-6-12-5-13(8-14)9-15(20)7-12/h3-4,10-15,20H,5-9H2,1-2H3,(H,22,23).
What are the key properties of 4-(2-adamantyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine?
4-(2-adamantyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 370.52 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-adamantyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 118719853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).