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

C17H26N2S — CID 171665763

IUPACN-(1-adamantyl)-4-tert-butyl-1,3-thiazol-2-amine
SMILESCC(C)(C)c1csc(NC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C17H26N2S/c1-16(2,3)14-10-20-15(18-14)19-17-7-11-4-12(8-17)6-13(5-11)9-17/h10-13H,4-9H2,1-3H3,(H,18,19)
InChIKeyXAFPIDHZHBBMRO-UHFFFAOYSA-N
MW290.48 g/mol
LogP4.82
Rot. Bonds2

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

N-(1-adamantyl)-4-tert-butyl-1,3-thiazol-2-amine (PubChem CID 171665763) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is N-(1-adamantyl)-4-tert-butyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-adamantyl)-4-tert-butyl-1,3-thiazol-2-amine
PubChem CID171665763
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC NameN-(1-adamantyl)-4-tert-butyl-1,3-thiazol-2-amine
SMILESCC(C)(C)c1csc(NC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C17H26N2S/c1-16(2,3)14-10-20-15(18-14)19-17-7-11-4-12(8-17)6-13(5-11)9-17/h10-13H,4-9H2,1-3H3,(H,18,19)
InChIKeyXAFPIDHZHBBMRO-UHFFFAOYSA-N
XLogP4.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-adamantyl)-N-methyl-1,3-thiazol-2-amine
CID 2872194
4-(1-Adamantyl)-1,3-thiazol-2-amine
CID 616434
1-(1-Adamantyl)-3-(4-methylthiazol-2-yl)urea
CID 47103624
4-(3-Chloro-1-adamantyl)-1,3-thiazol-2-amine
CID 3847334
4-Adamantan-1-ylmethyl-thiazol-2-ylamine
CID 2836061
4-(1-Adamantyl)-2-aminothiazole hydrochloride
CID 2828153
4-(1-adamantyl)-N-ethyl-1,3-thiazol-2-amine
CID 2834325
4-(1-adamantyl)-N-ethyl-1,3-thiazol-2-amine Hydrochloride
CID 2834326
N-[4-(1-adamantyl)thiazol-2-yl]-2-methyl-propanamide
CID 24575844
N-(4-tert-butyl-1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 3107305
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N',N'-diethylethane-1,2-diamine
CID 4839146
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]acetamide
CID 2836033

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-tert-butyl-1,3-thiazol-2-amine?
The IUPAC name of N-(1-adamantyl)-4-tert-butyl-1,3-thiazol-2-amine (CID 171665763) is N-(1-adamantyl)-4-tert-butyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-adamantyl)-4-tert-butyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-adamantyl)-4-tert-butyl-1,3-thiazol-2-amine is CC(C)(C)c1csc(NC23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of N-(1-adamantyl)-4-tert-butyl-1,3-thiazol-2-amine?
The InChIKey is XAFPIDHZHBBMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S/c1-16(2,3)14-10-20-15(18-14)19-17-7-11-4-12(8-17)6-13(5-11)9-17/h10-13H,4-9H2,1-3H3,(H,18,19).
What are the key properties of N-(1-adamantyl)-4-tert-butyl-1,3-thiazol-2-amine?
N-(1-adamantyl)-4-tert-butyl-1,3-thiazol-2-amine has a molecular weight of 290.48 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-tert-butyl-1,3-thiazol-2-amine is sourced from PubChem (CID 171665763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).