5-N-(1,4-dioxan-2-ylmethyl)-4-methoxy-1,2-thiazole-3,5-diamine

C9H15N3O3S — CID 103378303

IUPAC5-N-(1,4-dioxan-2-ylmethyl)-4-methoxy-1,2-thiazole-3,5-diamine
SMILESCOc1c(N)nsc1NCC1COCCO1
InChIInChI=1S/C9H15N3O3S/c1-13-7-8(10)12-16-9(7)11-4-6-5-14-2-3-15-6/h6,11H,2-5H2,1H3,(H2,10,12)
InChIKeyXWEICFUHOKOHJZ-UHFFFAOYSA-N
MW245.30 g/mol
LogP0.56
Rot. Bonds4

About 5-N-(1,4-dioxan-2-ylmethyl)-4-methoxy-1,2-thiazole-3,5-diamine

5-N-(1,4-dioxan-2-ylmethyl)-4-methoxy-1,2-thiazole-3,5-diamine (PubChem CID 103378303) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is 5-N-(1,4-dioxan-2-ylmethyl)-4-methoxy-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(1,4-dioxan-2-ylmethyl)-4-methoxy-1,2-thiazole-3,5-diamine
PubChem CID103378303
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name5-N-(1,4-dioxan-2-ylmethyl)-4-methoxy-1,2-thiazole-3,5-diamine
SMILESCOc1c(N)nsc1NCC1COCCO1
InChIInChI=1S/C9H15N3O3S/c1-13-7-8(10)12-16-9(7)11-4-6-5-14-2-3-15-6/h6,11H,2-5H2,1H3,(H2,10,12)
InChIKeyXWEICFUHOKOHJZ-UHFFFAOYSA-N
XLogP0.56
TPSA78.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103380641
3-amino-5-(1,4-dioxan-2-ylmethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103359254
1-[5-(1,4-dioxan-2-ylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79363953
5-N-(2,2-dimethylpropyl)-4-methoxy-1,2-thiazole-3,5-diamine
CID 103378404
5-N-(2-cyclopentylethyl)-4-methoxy-1,2-thiazole-3,5-diamine
CID 103383122
3-N-(1,4-dioxan-2-ylmethyl)-5-methoxybenzene-1,3-diamine
CID 80730753
4-methoxy-5-N-[1-(oxolan-2-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 103382934
1-N-(1,4-dioxan-2-ylmethyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 63598879
2-tert-butyl-4-N-(1,4-dioxan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80986815
4-methoxy-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103380667
N-(1,4-dioxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65271012
4-methoxy-5-N-[2-(2-methoxyethoxy)ethyl]-1,2-thiazole-3,5-diamine
CID 103379304

Frequently Asked Questions

What is the IUPAC name of 5-N-(1,4-dioxan-2-ylmethyl)-4-methoxy-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(1,4-dioxan-2-ylmethyl)-4-methoxy-1,2-thiazole-3,5-diamine (CID 103378303) is 5-N-(1,4-dioxan-2-ylmethyl)-4-methoxy-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(1,4-dioxan-2-ylmethyl)-4-methoxy-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(1,4-dioxan-2-ylmethyl)-4-methoxy-1,2-thiazole-3,5-diamine is COc1c(N)nsc1NCC1COCCO1.
What is the InChIKey of 5-N-(1,4-dioxan-2-ylmethyl)-4-methoxy-1,2-thiazole-3,5-diamine?
The InChIKey is XWEICFUHOKOHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-13-7-8(10)12-16-9(7)11-4-6-5-14-2-3-15-6/h6,11H,2-5H2,1H3,(H2,10,12).
What are the key properties of 5-N-(1,4-dioxan-2-ylmethyl)-4-methoxy-1,2-thiazole-3,5-diamine?
5-N-(1,4-dioxan-2-ylmethyl)-4-methoxy-1,2-thiazole-3,5-diamine has a molecular weight of 245.30 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1,4-dioxan-2-ylmethyl)-4-methoxy-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103378303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).