N-(oxan-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine

C9H16N2OS — CID 63711753

IUPACN-(oxan-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESC1CSC(NCC2CCOCC2)=N1
InChIInChI=1S/C9H16N2OS/c1-4-12-5-2-8(1)7-11-9-10-3-6-13-9/h8H,1-7H2,(H,10,11)
InChIKeyWPDZRUXPUXSOEW-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.11
Rot. Bonds2

About N-(oxan-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(oxan-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63711753) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63711753
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC NameN-(oxan-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESC1CSC(NCC2CCOCC2)=N1
InChIInChI=1S/C9H16N2OS/c1-4-12-5-2-8(1)7-11-9-10-3-6-13-9/h8H,1-7H2,(H,10,11)
InChIKeyWPDZRUXPUXSOEW-UHFFFAOYSA-N
XLogP1.11
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(oxan-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 63711753) is N-(oxan-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(oxan-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(oxan-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine is C1CSC(NCC2CCOCC2)=N1.
What is the InChIKey of N-(oxan-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is WPDZRUXPUXSOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-4-12-5-2-8(1)7-11-9-10-3-6-13-9/h8H,1-7H2,(H,10,11).
What are the key properties of N-(oxan-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(oxan-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 200.31 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63711753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).