N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine

C8H12N2OS — CID 43081850

IUPACN-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine
SMILESc1csc(NCC2CCCO2)n1
InChIInChI=1S/C8H12N2OS/c1-2-7(11-4-1)6-10-8-9-3-5-12-8/h3,5,7H,1-2,4,6H2,(H,9,10)
InChIKeyWWDLFMPRIZDMJG-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.73
Rot. Bonds3

About N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine

N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 43081850) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine
PubChem CID43081850
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC NameN-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine
SMILESc1csc(NCC2CCCO2)n1
InChIInChI=1S/C8H12N2OS/c1-2-7(11-4-1)6-10-8-9-3-5-12-8/h3,5,7H,1-2,4,6H2,(H,9,10)
InChIKeyWWDLFMPRIZDMJG-UHFFFAOYSA-N
XLogP1.73
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine (CID 43081850) is N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine is c1csc(NCC2CCCO2)n1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is WWDLFMPRIZDMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-2-7(11-4-1)6-10-8-9-3-5-12-8/h3,5,7H,1-2,4,6H2,(H,9,10).
What are the key properties of N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine?
N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 184.26 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 43081850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).