3-amino-5-(2-methylsulfonylethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide

C10H18N4O3S2 — CID 103383143

IUPAC3-amino-5-(2-methylsulfonylethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1NCCS(C)(=O)=O
InChIInChI=1S/C10H18N4O3S2/c1-6(2)13-9(15)7-8(11)14-18-10(7)12-4-5-19(3,16)17/h6,12H,4-5H2,1-3H3,(H2,11,14)(H,13,15)
InChIKeyZNOXMZVXMIYFID-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.32
Rot. Bonds6

About 3-amino-5-(2-methylsulfonylethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide

3-amino-5-(2-methylsulfonylethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide (PubChem CID 103383143) has the molecular formula C10H18N4O3S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-amino-5-(2-methylsulfonylethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-(2-methylsulfonylethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
PubChem CID103383143
Molecular FormulaC10H18N4O3S2
Molecular Weight306.41 g/mol
Exact Mass306.08
IUPAC Name3-amino-5-(2-methylsulfonylethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1NCCS(C)(=O)=O
InChIInChI=1S/C10H18N4O3S2/c1-6(2)13-9(15)7-8(11)14-18-10(7)12-4-5-19(3,16)17/h6,12H,4-5H2,1-3H3,(H2,11,14)(H,13,15)
InChIKeyZNOXMZVXMIYFID-UHFFFAOYSA-N
XLogP0.32
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-methylsulfonylethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-(2-methylsulfonylethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide (CID 103383143) is 3-amino-5-(2-methylsulfonylethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-(2-methylsulfonylethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-(2-methylsulfonylethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide is CC(C)NC(=O)c1c(N)nsc1NCCS(C)(=O)=O.
What is the InChIKey of 3-amino-5-(2-methylsulfonylethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The InChIKey is ZNOXMZVXMIYFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S2/c1-6(2)13-9(15)7-8(11)14-18-10(7)12-4-5-19(3,16)17/h6,12H,4-5H2,1-3H3,(H2,11,14)(H,13,15).
What are the key properties of 3-amino-5-(2-methylsulfonylethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide?
3-amino-5-(2-methylsulfonylethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-methylsulfonylethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103383143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).