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

C8H14N2OS — CID 62824363

IUPACN-(oxolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESC1CSC(NCC2CCOC2)=N1
InChIInChI=1S/C8H14N2OS/c1-3-11-6-7(1)5-10-8-9-2-4-12-8/h7H,1-6H2,(H,9,10)
InChIKeyCEAPLRZUHKVRAM-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.72
Rot. Bonds2

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

N-(oxolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 62824363) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID62824363
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC NameN-(oxolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESC1CSC(NCC2CCOC2)=N1
InChIInChI=1S/C8H14N2OS/c1-3-11-6-7(1)5-10-8-9-2-4-12-8/h7H,1-6H2,(H,9,10)
InChIKeyCEAPLRZUHKVRAM-UHFFFAOYSA-N
XLogP0.72
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-3-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 62824362
5-methyl-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 62824538
5-cyclopropyl-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63297057
N-(oxan-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63711753
5-methyl-N-(oxolan-3-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035487
5-ethyl-N-[3-(2-methylpropoxy)propyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 105682518
N-[3-(2-methylpropoxy)propyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 105682520
N-[3-(2-methylpropoxy)propyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 105682530
5-methyl-N-[3-(2-methylpropoxy)propyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 105682531
N-[3-(cyclopropylmethoxy)propyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 105682617
N-[3-(cyclopropylmethoxy)propyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 105682621
N-[3-(cyclopropylmethoxy)propyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 105682633

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(oxolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 62824363) is N-(oxolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(oxolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine is C1CSC(NCC2CCOC2)=N1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is CEAPLRZUHKVRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-3-11-6-7(1)5-10-8-9-2-4-12-8/h7H,1-6H2,(H,9,10).
What are the key properties of N-(oxolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(oxolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 186.28 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 62824363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).