5-(3-methoxypiperidin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine

C13H18N4OS2 — CID 103384750

IUPAC5-(3-methoxypiperidin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine
SMILESCOC1CCCN(c2snc(N)c2-c2csc(C)n2)C1
InChIInChI=1S/C13H18N4OS2/c1-8-15-10(7-19-8)11-12(14)16-20-13(11)17-5-3-4-9(6-17)18-2/h7,9H,3-6H2,1-2H3,(H2,14,16)
InChIKeyZUUYEHZGHLSKAP-UHFFFAOYSA-N
MW310.45 g/mol
LogP2.77
Rot. Bonds3

About 5-(3-methoxypiperidin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine

5-(3-methoxypiperidin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine (PubChem CID 103384750) has the molecular formula C13H18N4OS2 and a molecular weight of 310.45 g/mol. Its IUPAC name is 5-(3-methoxypiperidin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-(3-methoxypiperidin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine
PubChem CID103384750
Molecular FormulaC13H18N4OS2
Molecular Weight310.45 g/mol
Exact Mass310.09
IUPAC Name5-(3-methoxypiperidin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine
SMILESCOC1CCCN(c2snc(N)c2-c2csc(C)n2)C1
InChIInChI=1S/C13H18N4OS2/c1-8-15-10(7-19-8)11-12(14)16-20-13(11)17-5-3-4-9(6-17)18-2/h7,9H,3-6H2,1-2H3,(H2,14,16)
InChIKeyZUUYEHZGHLSKAP-UHFFFAOYSA-N
XLogP2.77
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(3-methoxypiperidin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine with MolForge

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Related Compounds

1-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]piperidine-3-carboxamide
CID 103381037
[1-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]pyrrolidin-3-yl]methanol
CID 103383882
4-(2-methyl-1,3-thiazol-4-yl)-5-(4-propan-2-ylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103505421
4-(2-methyl-1,3-thiazol-4-yl)-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,2-thiazol-3-amine
CID 103378152
5-(2-ethylthiomorpholin-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine
CID 103384426
4-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-1-methyl-1,4-diazepan-2-one
CID 103384690
4-ethylsulfonyl-5-(3-methoxypiperidin-1-yl)-1,2-thiazol-3-amine
CID 103365873
[4-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-6-methylmorpholin-2-yl]methanol
CID 103384839
5-(3-ethoxypiperidin-1-yl)-4-methyl-1,2-thiazol-3-amine
CID 103361875
5-N-(2-methoxycyclopentyl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103379868
4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103382767
5-N-(cyclopentylmethyl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103382835

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypiperidin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine?
The IUPAC name of 5-(3-methoxypiperidin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine (CID 103384750) is 5-(3-methoxypiperidin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine.
What is the SMILES notation for 5-(3-methoxypiperidin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine?
The canonical SMILES for 5-(3-methoxypiperidin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine is COC1CCCN(c2snc(N)c2-c2csc(C)n2)C1.
What is the InChIKey of 5-(3-methoxypiperidin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine?
The InChIKey is ZUUYEHZGHLSKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS2/c1-8-15-10(7-19-8)11-12(14)16-20-13(11)17-5-3-4-9(6-17)18-2/h7,9H,3-6H2,1-2H3,(H2,14,16).
What are the key properties of 5-(3-methoxypiperidin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine?
5-(3-methoxypiperidin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine has a molecular weight of 310.45 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypiperidin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine is sourced from PubChem (CID 103384750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).