[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-methylthiomorpholin-4-yl)methanone

C13H22N4OS2 — CID 116666636

IUPAC[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-methylthiomorpholin-4-yl)methanone
SMILESCCN(CC)c1nc(N)c(C(=O)N2CCSCC2C)s1
InChIInChI=1S/C13H22N4OS2/c1-4-16(5-2)13-15-11(14)10(20-13)12(18)17-6-7-19-8-9(17)3/h9H,4-8,14H2,1-3H3
InChIKeyFLDIYIIUQIREOG-UHFFFAOYSA-N
MW314.48 g/mol
LogP2.15
Rot. Bonds4

About [4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-methylthiomorpholin-4-yl)methanone

[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-methylthiomorpholin-4-yl)methanone (PubChem CID 116666636) has the molecular formula C13H22N4OS2 and a molecular weight of 314.48 g/mol. Its IUPAC name is [4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-methylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-methylthiomorpholin-4-yl)methanone
PubChem CID116666636
Molecular FormulaC13H22N4OS2
Molecular Weight314.48 g/mol
Exact Mass314.12
IUPAC Name[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-methylthiomorpholin-4-yl)methanone
SMILESCCN(CC)c1nc(N)c(C(=O)N2CCSCC2C)s1
InChIInChI=1S/C13H22N4OS2/c1-4-16(5-2)13-15-11(14)10(20-13)12(18)17-6-7-19-8-9(17)3/h9H,4-8,14H2,1-3H3
InChIKeyFLDIYIIUQIREOG-UHFFFAOYSA-N
XLogP2.15
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(3-methylthiomorpholin-4-yl)methanone
CID 116666639
4-[4-amino-2-(diethylamino)-1,3-thiazole-5-carbonyl]-3-methylpiperazin-2-one
CID 116666166
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(3-methylthiomorpholin-4-yl)methanone
CID 116666635
[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 116673825
[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-ethylpyrrolidin-1-yl)methanone
CID 116672441
[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone
CID 116666684
[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 116669079
[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-propylpyrrolidin-1-yl)methanone
CID 116672457
[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3,3-dimethylmorpholin-4-yl)methanone
CID 116663294
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(3-methylmorpholin-4-yl)methanone
CID 116670087
4-amino-2-(diethylamino)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 116669839
4-amino-2-(diethylamino)-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116672887

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-methylthiomorpholin-4-yl)methanone?
The IUPAC name of [4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-methylthiomorpholin-4-yl)methanone (CID 116666636) is [4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-methylthiomorpholin-4-yl)methanone.
What is the SMILES notation for [4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-methylthiomorpholin-4-yl)methanone?
The canonical SMILES for [4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-methylthiomorpholin-4-yl)methanone is CCN(CC)c1nc(N)c(C(=O)N2CCSCC2C)s1.
What is the InChIKey of [4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-methylthiomorpholin-4-yl)methanone?
The InChIKey is FLDIYIIUQIREOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS2/c1-4-16(5-2)13-15-11(14)10(20-13)12(18)17-6-7-19-8-9(17)3/h9H,4-8,14H2,1-3H3.
What are the key properties of [4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-methylthiomorpholin-4-yl)methanone?
[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-methylthiomorpholin-4-yl)methanone has a molecular weight of 314.48 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3-methylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 116666636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).