5-(2-methylthiomorpholin-4-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine

C13H16N4S2 — CID 103365792

IUPAC5-(2-methylthiomorpholin-4-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine
SMILESCC1CN(c2snc(N)c2-c2ccncc2)CCS1
InChIInChI=1S/C13H16N4S2/c1-9-8-17(6-7-18-9)13-11(12(14)16-19-13)10-2-4-15-5-3-10/h2-5,9H,6-8H2,1H3,(H2,14,16)
InChIKeyQJJOADKEPPCPST-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.73
Rot. Bonds2

About 5-(2-methylthiomorpholin-4-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine

5-(2-methylthiomorpholin-4-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine (PubChem CID 103365792) has the molecular formula C13H16N4S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 5-(2-methylthiomorpholin-4-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-(2-methylthiomorpholin-4-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine
PubChem CID103365792
Molecular FormulaC13H16N4S2
Molecular Weight292.43 g/mol
Exact Mass292.08
IUPAC Name5-(2-methylthiomorpholin-4-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine
SMILESCC1CN(c2snc(N)c2-c2ccncc2)CCS1
InChIInChI=1S/C13H16N4S2/c1-9-8-17(6-7-18-9)13-11(12(14)16-19-13)10-2-4-15-5-3-10/h2-5,9H,6-8H2,1H3,(H2,14,16)
InChIKeyQJJOADKEPPCPST-UHFFFAOYSA-N
XLogP2.73
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,6-dimethylthiomorpholin-4-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine
CID 103363094
5-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine
CID 103365859
5-[4-(dimethylamino)piperidin-1-yl]-4-pyridin-4-yl-1,2-thiazol-3-amine
CID 103360474
5-(2-methylpyrrolidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine
CID 103361974
[1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)piperidin-3-yl]methanol
CID 103361985
4-methoxy-5-(2-methylthiomorpholin-4-yl)-1,2-thiazol-3-amine
CID 103384673
1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-3-methylpyrrolidin-3-ol
CID 103366053
5-(2,6-dimethylthiomorpholin-4-yl)-4-pyridin-3-yl-1,2-thiazol-3-amine
CID 103363092
5-(4,4-dimethylazepan-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine
CID 103363190
2-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 103365080
5-(3-ethylpyrrolidin-1-yl)-4-phenyl-1,2-thiazol-3-amine
CID 103384010
5-(2-ethylthiomorpholin-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine
CID 103384426

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylthiomorpholin-4-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine?
The IUPAC name of 5-(2-methylthiomorpholin-4-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine (CID 103365792) is 5-(2-methylthiomorpholin-4-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine.
What is the SMILES notation for 5-(2-methylthiomorpholin-4-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine?
The canonical SMILES for 5-(2-methylthiomorpholin-4-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine is CC1CN(c2snc(N)c2-c2ccncc2)CCS1.
What is the InChIKey of 5-(2-methylthiomorpholin-4-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine?
The InChIKey is QJJOADKEPPCPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S2/c1-9-8-17(6-7-18-9)13-11(12(14)16-19-13)10-2-4-15-5-3-10/h2-5,9H,6-8H2,1H3,(H2,14,16).
What are the key properties of 5-(2-methylthiomorpholin-4-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine?
5-(2-methylthiomorpholin-4-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine has a molecular weight of 292.43 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylthiomorpholin-4-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine is sourced from PubChem (CID 103365792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).