4-(1-tricyclo[4.3.1.13,8]undecanyl)-1,3-thiazol-2-amine

C14H20N2S — CID 4137288

IUPAC4-(1-tricyclo[4.3.1.13,8]undecanyl)-1,3-thiazol-2-amine
SMILESNc1nc(C23CC4CCC(CC(C4)C2)C3)cs1
InChIInChI=1S/C14H20N2S/c15-13-16-12(8-17-13)14-5-9-1-2-10(6-14)4-11(3-9)7-14/h8-11H,1-7H2,(H2,15,16)
InChIKeyXMOFXXWQTOIWRT-UHFFFAOYSA-N
MW248.39 g/mol
LogP3.58
Rot. Bonds1

About 4-(1-tricyclo[4.3.1.13,8]undecanyl)-1,3-thiazol-2-amine

4-(1-tricyclo[4.3.1.13,8]undecanyl)-1,3-thiazol-2-amine (PubChem CID 4137288) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 4-(1-tricyclo[4.3.1.13,8]undecanyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-tricyclo[4.3.1.13,8]undecanyl)-1,3-thiazol-2-amine
PubChem CID4137288
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name4-(1-tricyclo[4.3.1.13,8]undecanyl)-1,3-thiazol-2-amine
SMILESNc1nc(C23CC4CCC(CC(C4)C2)C3)cs1
InChIInChI=1S/C14H20N2S/c15-13-16-12(8-17-13)14-5-9-1-2-10(6-14)4-11(3-9)7-14/h8-11H,1-7H2,(H2,15,16)
InChIKeyXMOFXXWQTOIWRT-UHFFFAOYSA-N
XLogP3.58
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 53.58
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-Cyclohexyl-1,3-thiazol-2-amine
CID 346930
4-(1-Adamantyl)-1,3-thiazol-2-amine
CID 616434
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 Hydrochloride
CID 2834326
4-[4-(Trifluoromethyl)cyclohexyl]-1,3-thiazol-2-amine
CID 112562131
4-(4,4-Dimethylcyclohexyl)-1,3-thiazol-2-amine hydrochloride
CID 145867409
4-(1-adamantyl)-N,N-dimethyl-1,3-thiazol-2-amine
CID 8900392
4-(4,4-Difluorocyclohexyl)-1,3-thiazol-2-amine
CID 112562176
4-(1-adamantyl)-N-(2-adamantylideneamino)-1,3-thiazol-2-amine
CID 118984995

Frequently Asked Questions

What is the IUPAC name of 4-(1-tricyclo[4.3.1.13,8]undecanyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-tricyclo[4.3.1.13,8]undecanyl)-1,3-thiazol-2-amine (CID 4137288) is 4-(1-tricyclo[4.3.1.13,8]undecanyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-tricyclo[4.3.1.13,8]undecanyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-tricyclo[4.3.1.13,8]undecanyl)-1,3-thiazol-2-amine is Nc1nc(C23CC4CCC(CC(C4)C2)C3)cs1.
What is the InChIKey of 4-(1-tricyclo[4.3.1.13,8]undecanyl)-1,3-thiazol-2-amine?
The InChIKey is XMOFXXWQTOIWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c15-13-16-12(8-17-13)14-5-9-1-2-10(6-14)4-11(3-9)7-14/h8-11H,1-7H2,(H2,15,16).
What are the key properties of 4-(1-tricyclo[4.3.1.13,8]undecanyl)-1,3-thiazol-2-amine?
4-(1-tricyclo[4.3.1.13,8]undecanyl)-1,3-thiazol-2-amine has a molecular weight of 248.39 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-tricyclo[4.3.1.13,8]undecanyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 4137288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).