4-amino-2-(diethylamino)-N-(1-methylsulfinylpropan-2-yl)-1,3-thiazole-5-carboxamide

C12H22N4O2S2 — CID 116672740

IUPAC4-amino-2-(diethylamino)-N-(1-methylsulfinylpropan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCN(CC)c1nc(N)c(C(=O)NC(C)CS(C)=O)s1
InChIInChI=1S/C12H22N4O2S2/c1-5-16(6-2)12-15-10(13)9(19-12)11(17)14-8(3)7-20(4)18/h8H,5-7,13H2,1-4H3,(H,14,17)
InChIKeyNMOFNWHZKUXGIZ-UHFFFAOYSA-N
MW318.47 g/mol
LogP1.07
Rot. Bonds7

About 4-amino-2-(diethylamino)-N-(1-methylsulfinylpropan-2-yl)-1,3-thiazole-5-carboxamide

4-amino-2-(diethylamino)-N-(1-methylsulfinylpropan-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 116672740) has the molecular formula C12H22N4O2S2 and a molecular weight of 318.47 g/mol. Its IUPAC name is 4-amino-2-(diethylamino)-N-(1-methylsulfinylpropan-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(diethylamino)-N-(1-methylsulfinylpropan-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID116672740
Molecular FormulaC12H22N4O2S2
Molecular Weight318.47 g/mol
Exact Mass318.12
IUPAC Name4-amino-2-(diethylamino)-N-(1-methylsulfinylpropan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCN(CC)c1nc(N)c(C(=O)NC(C)CS(C)=O)s1
InChIInChI=1S/C12H22N4O2S2/c1-5-16(6-2)12-15-10(13)9(19-12)11(17)14-8(3)7-20(4)18/h8H,5-7,13H2,1-4H3,(H,14,17)
InChIKeyNMOFNWHZKUXGIZ-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-N-(1-cyclopropylpropan-2-yl)-2-(diethylamino)-1,3-thiazole-5-carboxamide
CID 116666579
4-amino-2-(diethylamino)-N-(3-methylsulfinylpropyl)-1,3-thiazole-5-carboxamide
CID 116672922
4-amino-2-(diethylamino)-N-(1-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide
CID 116673688
4-amino-2-(diethylamino)-N-pent-1-yn-3-yl-1,3-thiazole-5-carboxamide
CID 106233150
4-amino-2-(diethylamino)-N-(1-methoxybutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116666874
4-amino-2-(diethylamino)-N-(2-ethylbutyl)-1,3-thiazole-5-carboxamide
CID 116673517
4-amino-2-[ethyl(methyl)amino]-N-heptan-2-yl-1,3-thiazole-5-carboxamide
CID 116663662
4-amino-2-(dimethylamino)-N-(4-methylhexan-2-yl)-1,3-thiazole-5-carboxamide
CID 116667275
4-amino-2-(diethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)-1,3-thiazole-5-carboxamide
CID 106163749
4-amino-2-(diethylamino)-N-(1-methylcyclobutyl)-1,3-thiazole-5-carboxamide
CID 116672673
4-amino-2-(diethylamino)-N-(1-methylcyclopentyl)-1,3-thiazole-5-carboxamide
CID 116670891
4-amino-2-[ethyl(methyl)amino]-N-pent-4-yn-2-yl-1,3-thiazole-5-carboxamide
CID 116672954

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(diethylamino)-N-(1-methylsulfinylpropan-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(diethylamino)-N-(1-methylsulfinylpropan-2-yl)-1,3-thiazole-5-carboxamide (CID 116672740) is 4-amino-2-(diethylamino)-N-(1-methylsulfinylpropan-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(diethylamino)-N-(1-methylsulfinylpropan-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(diethylamino)-N-(1-methylsulfinylpropan-2-yl)-1,3-thiazole-5-carboxamide is CCN(CC)c1nc(N)c(C(=O)NC(C)CS(C)=O)s1.
What is the InChIKey of 4-amino-2-(diethylamino)-N-(1-methylsulfinylpropan-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is NMOFNWHZKUXGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S2/c1-5-16(6-2)12-15-10(13)9(19-12)11(17)14-8(3)7-20(4)18/h8H,5-7,13H2,1-4H3,(H,14,17).
What are the key properties of 4-amino-2-(diethylamino)-N-(1-methylsulfinylpropan-2-yl)-1,3-thiazole-5-carboxamide?
4-amino-2-(diethylamino)-N-(1-methylsulfinylpropan-2-yl)-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-(diethylamino)-N-(1-methylsulfinylpropan-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116672740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).