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

C8H14N2O2S — CID 61024991

IUPACN-(1,4-dioxan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESC1CSC(NCC2COCCO2)=N1
InChIInChI=1S/C8H14N2O2S/c1-4-13-8(9-1)10-5-7-6-11-2-3-12-7/h7H,1-6H2,(H,9,10)
InChIKeyWKQZLPYATAWXNB-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.09
Rot. Bonds2

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

N-(1,4-dioxan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 61024991) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID61024991
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESC1CSC(NCC2COCCO2)=N1
InChIInChI=1S/C8H14N2O2S/c1-4-13-8(9-1)10-5-7-6-11-2-3-12-7/h7H,1-6H2,(H,9,10)
InChIKeyWKQZLPYATAWXNB-UHFFFAOYSA-N
XLogP0.09
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,4-dioxan-2-ylmethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 61023164
N-(1,4-dioxan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 61024990
N-[2-(2-methoxyethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 61850488
N-[2-(2-methoxyethoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 61850489
N-[2-(2-methoxyethoxy)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 61850693
5-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296479
N-(1,4-dioxan-2-ylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65036303
N-(2-methoxypropyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 102699414
5-methyl-N-(2-propan-2-yloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 104763250
N-(2-propan-2-yloxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 104763255
N-[3-(2-methoxyethoxy)propyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 105682564
N-[3-(2-methoxyethoxy)propyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 105682566

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 61024991) is N-(1,4-dioxan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine is C1CSC(NCC2COCCO2)=N1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is WKQZLPYATAWXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-4-13-8(9-1)10-5-7-6-11-2-3-12-7/h7H,1-6H2,(H,9,10).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(1,4-dioxan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 202.28 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 61024991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).