4-amino-2-[ethyl(methyl)amino]-N-(3-methylsulfinylbutyl)-1,3-thiazole-5-carboxamide

C12H22N4O2S2 — CID 116672685

IUPAC4-amino-2-[ethyl(methyl)amino]-N-(3-methylsulfinylbutyl)-1,3-thiazole-5-carboxamide
SMILESCCN(C)c1nc(N)c(C(=O)NCCC(C)S(C)=O)s1
InChIInChI=1S/C12H22N4O2S2/c1-5-16(3)12-15-10(13)9(19-12)11(17)14-7-6-8(2)20(4)18/h8H,5-7,13H2,1-4H3,(H,14,17)
InChIKeyYHUYDIMTPDDICI-UHFFFAOYSA-N
MW318.47 g/mol
LogP1.07
Rot. Bonds7

About 4-amino-2-[ethyl(methyl)amino]-N-(3-methylsulfinylbutyl)-1,3-thiazole-5-carboxamide

4-amino-2-[ethyl(methyl)amino]-N-(3-methylsulfinylbutyl)-1,3-thiazole-5-carboxamide (PubChem CID 116672685) has the molecular formula C12H22N4O2S2 and a molecular weight of 318.47 g/mol. Its IUPAC name is 4-amino-2-[ethyl(methyl)amino]-N-(3-methylsulfinylbutyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-[ethyl(methyl)amino]-N-(3-methylsulfinylbutyl)-1,3-thiazole-5-carboxamide
PubChem CID116672685
Molecular FormulaC12H22N4O2S2
Molecular Weight318.47 g/mol
Exact Mass318.12
IUPAC Name4-amino-2-[ethyl(methyl)amino]-N-(3-methylsulfinylbutyl)-1,3-thiazole-5-carboxamide
SMILESCCN(C)c1nc(N)c(C(=O)NCCC(C)S(C)=O)s1
InChIInChI=1S/C12H22N4O2S2/c1-5-16(3)12-15-10(13)9(19-12)11(17)14-7-6-8(2)20(4)18/h8H,5-7,13H2,1-4H3,(H,14,17)
InChIKeyYHUYDIMTPDDICI-UHFFFAOYSA-N
XLogP1.07
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-[ethyl(methyl)amino]-N-(2-methylsulfinylethyl)-1,3-thiazole-5-carboxamide
CID 116673226
4-amino-N-[3-(diethylamino)propyl]-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116668561
4-amino-N-[2-(dimethylamino)-2-methylpropyl]-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116664584
4-amino-2-[ethyl(methyl)amino]-N-pent-4-enyl-1,3-thiazole-5-carboxamide
CID 114265110
4-amino-N-(2-ethoxypropyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116672975
4-amino-2-[ethyl(methyl)amino]-N-heptan-2-yl-1,3-thiazole-5-carboxamide
CID 116663662
4-amino-2-[ethyl(methyl)amino]-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 116670265
4-amino-2-[ethyl(methyl)amino]-N-(3-propoxypropyl)-1,3-thiazole-5-carboxamide
CID 116671855
4-amino-N-(5-methylhexyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116671824
4-amino-N-[2-(cyclopenten-1-yl)ethyl]-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 106174519
4-amino-2-[ethyl(methyl)amino]-N-(2-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 116663725
4-amino-N-(2,2-dimethylbutyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 103466928

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[ethyl(methyl)amino]-N-(3-methylsulfinylbutyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-[ethyl(methyl)amino]-N-(3-methylsulfinylbutyl)-1,3-thiazole-5-carboxamide (CID 116672685) is 4-amino-2-[ethyl(methyl)amino]-N-(3-methylsulfinylbutyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-[ethyl(methyl)amino]-N-(3-methylsulfinylbutyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-[ethyl(methyl)amino]-N-(3-methylsulfinylbutyl)-1,3-thiazole-5-carboxamide is CCN(C)c1nc(N)c(C(=O)NCCC(C)S(C)=O)s1.
What is the InChIKey of 4-amino-2-[ethyl(methyl)amino]-N-(3-methylsulfinylbutyl)-1,3-thiazole-5-carboxamide?
The InChIKey is YHUYDIMTPDDICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S2/c1-5-16(3)12-15-10(13)9(19-12)11(17)14-7-6-8(2)20(4)18/h8H,5-7,13H2,1-4H3,(H,14,17).
What are the key properties of 4-amino-2-[ethyl(methyl)amino]-N-(3-methylsulfinylbutyl)-1,3-thiazole-5-carboxamide?
4-amino-2-[ethyl(methyl)amino]-N-(3-methylsulfinylbutyl)-1,3-thiazole-5-carboxamide has a molecular weight of 318.47 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[ethyl(methyl)amino]-N-(3-methylsulfinylbutyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116672685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).