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

C13H17ClN2S — CID 83152924

IUPACN-(1-adamantyl)-4-chloro-1,3-thiazol-2-amine
SMILESClc1csc(NC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C13H17ClN2S/c14-11-7-17-12(15-11)16-13-4-8-1-9(5-13)3-10(2-8)6-13/h7-10H,1-6H2,(H,15,16)
InChIKeyRCCHJKCPSIAAGC-UHFFFAOYSA-N
MW268.81 g/mol
LogP4.18
Rot. Bonds2

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

N-(1-adamantyl)-4-chloro-1,3-thiazol-2-amine (PubChem CID 83152924) has the molecular formula C13H17ClN2S and a molecular weight of 268.81 g/mol. Its IUPAC name is N-(1-adamantyl)-4-chloro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-adamantyl)-4-chloro-1,3-thiazol-2-amine
PubChem CID83152924
Molecular FormulaC13H17ClN2S
Molecular Weight268.81 g/mol
Exact Mass268.08
IUPAC NameN-(1-adamantyl)-4-chloro-1,3-thiazol-2-amine
SMILESClc1csc(NC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C13H17ClN2S/c14-11-7-17-12(15-11)16-13-4-8-1-9(5-13)3-10(2-8)6-13/h7-10H,1-6H2,(H,15,16)
InChIKeyRCCHJKCPSIAAGC-UHFFFAOYSA-N
XLogP4.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.81
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-chloro-1,3-thiazol-2-amine?
The IUPAC name of N-(1-adamantyl)-4-chloro-1,3-thiazol-2-amine (CID 83152924) is N-(1-adamantyl)-4-chloro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-adamantyl)-4-chloro-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-adamantyl)-4-chloro-1,3-thiazol-2-amine is Clc1csc(NC23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of N-(1-adamantyl)-4-chloro-1,3-thiazol-2-amine?
The InChIKey is RCCHJKCPSIAAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2S/c14-11-7-17-12(15-11)16-13-4-8-1-9(5-13)3-10(2-8)6-13/h7-10H,1-6H2,(H,15,16).
What are the key properties of N-(1-adamantyl)-4-chloro-1,3-thiazol-2-amine?
N-(1-adamantyl)-4-chloro-1,3-thiazol-2-amine has a molecular weight of 268.81 g/mol, XLogP of 4.18, 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-chloro-1,3-thiazol-2-amine is sourced from PubChem (CID 83152924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).