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

C10H17N3O2S — CID 103380641

IUPAC4-methoxy-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESCOc1c(N)nsc1NCC1CCOCC1
InChIInChI=1S/C10H17N3O2S/c1-14-8-9(11)13-16-10(8)12-6-7-2-4-15-5-3-7/h7,12H,2-6H2,1H3,(H2,11,13)
InChIKeyRODKZJZDHQBSKA-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.57
Rot. Bonds4

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

4-methoxy-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103380641) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-methoxy-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methoxy-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine
PubChem CID103380641
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name4-methoxy-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESCOc1c(N)nsc1NCC1CCOCC1
InChIInChI=1S/C10H17N3O2S/c1-14-8-9(11)13-16-10(8)12-6-7-2-4-15-5-3-7/h7,12H,2-6H2,1H3,(H2,11,13)
InChIKeyRODKZJZDHQBSKA-UHFFFAOYSA-N
XLogP1.57
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-(1,4-dioxan-2-ylmethyl)-4-methoxy-1,2-thiazole-3,5-diamine
CID 103378303
5-N-(2-cyclopentylethyl)-4-methoxy-1,2-thiazole-3,5-diamine
CID 103383122
3-amino-5-(oxan-4-ylmethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103380642
5-N-(2,2-dimethylpropyl)-4-methoxy-1,2-thiazole-3,5-diamine
CID 103378404
4-propan-2-yloxy-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine
CID 107299145
5-N-(cyclohexylmethyl)-4-methyl-1,2-thiazole-3,5-diamine
CID 103363934
4-methoxy-5-N-[1-(oxolan-2-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 103382934
4-methyl-5-N-(oxan-3-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103359238
5-N-[(1-ethylpiperidin-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360238
methyl 3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carboxylate
CID 103383179
5-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103382331
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 4-methoxy-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methoxy-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine (CID 103380641) is 4-methoxy-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methoxy-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methoxy-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine is COc1c(N)nsc1NCC1CCOCC1.
What is the InChIKey of 4-methoxy-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is RODKZJZDHQBSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-14-8-9(11)13-16-10(8)12-6-7-2-4-15-5-3-7/h7,12H,2-6H2,1H3,(H2,11,13).
What are the key properties of 4-methoxy-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine?
4-methoxy-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 243.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103380641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).