4-methoxy-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine

C9H16N4OS — CID 103383775

IUPAC4-methoxy-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine
SMILESCOc1c(N)nsc1NN1CCCCC1
InChIInChI=1S/C9H16N4OS/c1-14-7-8(10)12-15-9(7)11-13-5-3-2-4-6-13/h11H,2-6H2,1H3,(H2,10,12)
InChIKeyYUFGEMYAGMZSPH-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.55
Rot. Bonds3

About 4-methoxy-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine

4-methoxy-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine (PubChem CID 103383775) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-methoxy-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methoxy-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine
PubChem CID103383775
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name4-methoxy-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine
SMILESCOc1c(N)nsc1NN1CCCCC1
InChIInChI=1S/C9H16N4OS/c1-14-7-8(10)12-15-9(7)11-13-5-3-2-4-6-13/h11H,2-6H2,1H3,(H2,10,12)
InChIKeyYUFGEMYAGMZSPH-UHFFFAOYSA-N
XLogP1.55
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-amino-5-(piperidin-1-ylamino)-1,2-thiazole-4-carboxylate
CID 103383769
4-ethylsulfonyl-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine
CID 103364864
5-N-(2,2-dimethylpropyl)-4-methoxy-1,2-thiazole-3,5-diamine
CID 103378404
4-methoxy-5-N-(3-methylcyclobutyl)-1,2-thiazole-3,5-diamine
CID 103384334
4-methoxy-5-N-(2-methoxycyclopentyl)-1,2-thiazole-3,5-diamine
CID 103379871
5-N-(2-cyclopentylethyl)-4-methoxy-1,2-thiazole-3,5-diamine
CID 103383122
4-methoxy-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103380667
4-methoxy-5-N-[1-(oxolan-2-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 103382934
4-methoxy-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103380641
4-methoxy-5-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2-thiazole-3,5-diamine
CID 114096901
5-N-(1,4-dioxan-2-ylmethyl)-4-methoxy-1,2-thiazole-3,5-diamine
CID 103378303
5-N-(1-piperidin-1-ylpropan-2-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360050

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methoxy-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine (CID 103383775) is 4-methoxy-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methoxy-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methoxy-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine is COc1c(N)nsc1NN1CCCCC1.
What is the InChIKey of 4-methoxy-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine?
The InChIKey is YUFGEMYAGMZSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-14-7-8(10)12-15-9(7)11-13-5-3-2-4-6-13/h11H,2-6H2,1H3,(H2,10,12).
What are the key properties of 4-methoxy-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine?
4-methoxy-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine has a molecular weight of 228.32 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103383775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).