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

C13H18N4S3 — CID 103384426

IUPAC5-(2-ethylthiomorpholin-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine
SMILESCCC1CN(c2snc(N)c2-c2csc(C)n2)CCS1
InChIInChI=1S/C13H18N4S3/c1-3-9-6-17(4-5-18-9)13-11(12(14)16-20-13)10-7-19-8(2)15-10/h7,9H,3-6H2,1-2H3,(H2,14,16)
InChIKeyAVOKACJVEVBWMO-UHFFFAOYSA-N
MW326.52 g/mol
LogP3.49
Rot. Bonds3

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

5-(2-ethylthiomorpholin-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine (PubChem CID 103384426) has the molecular formula C13H18N4S3 and a molecular weight of 326.52 g/mol. Its IUPAC name is 5-(2-ethylthiomorpholin-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-(2-ethylthiomorpholin-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine
PubChem CID103384426
Molecular FormulaC13H18N4S3
Molecular Weight326.52 g/mol
Exact Mass326.07
IUPAC Name5-(2-ethylthiomorpholin-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine
SMILESCCC1CN(c2snc(N)c2-c2csc(C)n2)CCS1
InChIInChI=1S/C13H18N4S3/c1-3-9-6-17(4-5-18-9)13-11(12(14)16-20-13)10-7-19-8(2)15-10/h7,9H,3-6H2,1-2H3,(H2,14,16)
InChIKeyAVOKACJVEVBWMO-UHFFFAOYSA-N
XLogP3.49
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.52
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[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
5-(3-methoxypiperidin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine
CID 103384750
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
1-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]piperidine-3-carboxamide
CID 103381037
4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine
CID 103365547
[4-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-6-methylmorpholin-2-yl]methanol
CID 103384839
4-ethylsulfonyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine
CID 103365542
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-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103382767
5-(2-methylthiomorpholin-4-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine
CID 103365792
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-(2-ethylthiomorpholin-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine?
The IUPAC name of 5-(2-ethylthiomorpholin-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine (CID 103384426) is 5-(2-ethylthiomorpholin-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine.
What is the SMILES notation for 5-(2-ethylthiomorpholin-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine?
The canonical SMILES for 5-(2-ethylthiomorpholin-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine is CCC1CN(c2snc(N)c2-c2csc(C)n2)CCS1.
What is the InChIKey of 5-(2-ethylthiomorpholin-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine?
The InChIKey is AVOKACJVEVBWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S3/c1-3-9-6-17(4-5-18-9)13-11(12(14)16-20-13)10-7-19-8(2)15-10/h7,9H,3-6H2,1-2H3,(H2,14,16).
What are the key properties of 5-(2-ethylthiomorpholin-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine?
5-(2-ethylthiomorpholin-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine has a molecular weight of 326.52 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylthiomorpholin-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine is sourced from PubChem (CID 103384426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).