4-amino-2-(2-methoxyethylamino)-N-(4-methylsulfinylbutan-2-yl)-1,3-thiazole-5-carboxamide

C12H22N4O3S2 — CID 116673733

IUPAC4-amino-2-(2-methoxyethylamino)-N-(4-methylsulfinylbutan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCOCCNc1nc(N)c(C(=O)NC(C)CCS(C)=O)s1
InChIInChI=1S/C12H22N4O3S2/c1-8(4-7-21(3)18)15-11(17)9-10(13)16-12(20-9)14-5-6-19-2/h8H,4-7,13H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyDQANLISQBBCDPX-UHFFFAOYSA-N
MW334.47 g/mol
LogP0.67
Rot. Bonds9

About 4-amino-2-(2-methoxyethylamino)-N-(4-methylsulfinylbutan-2-yl)-1,3-thiazole-5-carboxamide

4-amino-2-(2-methoxyethylamino)-N-(4-methylsulfinylbutan-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 116673733) has the molecular formula C12H22N4O3S2 and a molecular weight of 334.47 g/mol. Its IUPAC name is 4-amino-2-(2-methoxyethylamino)-N-(4-methylsulfinylbutan-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(2-methoxyethylamino)-N-(4-methylsulfinylbutan-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID116673733
Molecular FormulaC12H22N4O3S2
Molecular Weight334.47 g/mol
Exact Mass334.11
IUPAC Name4-amino-2-(2-methoxyethylamino)-N-(4-methylsulfinylbutan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCOCCNc1nc(N)c(C(=O)NC(C)CCS(C)=O)s1
InChIInChI=1S/C12H22N4O3S2/c1-8(4-7-21(3)18)15-11(17)9-10(13)16-12(20-9)14-5-6-19-2/h8H,4-7,13H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyDQANLISQBBCDPX-UHFFFAOYSA-N
XLogP0.67
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-(2-methoxyethylamino)-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide
CID 116666462
4-amino-2-(2-methoxyethylamino)-N-(1-methoxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116667168
4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 106347702
4-amino-N-(1-cyclopropylpropan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116666572
4-amino-2-(2-methoxyethylamino)-N-(2-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 116663722
4-amino-N-(1-methoxy-3-methylbutan-2-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116667180
4-amino-N-(3-amino-3-oxopropyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116670183
4-amino-N-[4-(dimethylamino)butan-2-yl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116664063
4-amino-N-but-2-ynyl-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116673066
4-amino-N-(1-methylsulfanylpropan-2-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116673320
4-amino-N-(4-hydroxy-2-methylbutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116673698
4-amino-2-(2-methoxyethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 116668979

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-methoxyethylamino)-N-(4-methylsulfinylbutan-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(2-methoxyethylamino)-N-(4-methylsulfinylbutan-2-yl)-1,3-thiazole-5-carboxamide (CID 116673733) is 4-amino-2-(2-methoxyethylamino)-N-(4-methylsulfinylbutan-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(2-methoxyethylamino)-N-(4-methylsulfinylbutan-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(2-methoxyethylamino)-N-(4-methylsulfinylbutan-2-yl)-1,3-thiazole-5-carboxamide is COCCNc1nc(N)c(C(=O)NC(C)CCS(C)=O)s1.
What is the InChIKey of 4-amino-2-(2-methoxyethylamino)-N-(4-methylsulfinylbutan-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is DQANLISQBBCDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S2/c1-8(4-7-21(3)18)15-11(17)9-10(13)16-12(20-9)14-5-6-19-2/h8H,4-7,13H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of 4-amino-2-(2-methoxyethylamino)-N-(4-methylsulfinylbutan-2-yl)-1,3-thiazole-5-carboxamide?
4-amino-2-(2-methoxyethylamino)-N-(4-methylsulfinylbutan-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 334.47 g/mol, XLogP of 0.67, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-methoxyethylamino)-N-(4-methylsulfinylbutan-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116673733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).