3-amino-5-(3,3-dimethylpyrrolidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide

C11H18N4OS — CID 103383454

IUPAC3-amino-5-(3,3-dimethylpyrrolidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1N1CCC(C)(C)C1
InChIInChI=1S/C11H18N4OS/c1-11(2)4-5-15(6-11)10-7(9(16)13-3)8(12)14-17-10/h4-6H2,1-3H3,(H2,12,14)(H,13,16)
InChIKeyLUIGJJUEYPSPCC-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.32
Rot. Bonds2

About 3-amino-5-(3,3-dimethylpyrrolidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide

3-amino-5-(3,3-dimethylpyrrolidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide (PubChem CID 103383454) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 3-amino-5-(3,3-dimethylpyrrolidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-(3,3-dimethylpyrrolidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide
PubChem CID103383454
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name3-amino-5-(3,3-dimethylpyrrolidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1N1CCC(C)(C)C1
InChIInChI=1S/C11H18N4OS/c1-11(2)4-5-15(6-11)10-7(9(16)13-3)8(12)14-17-10/h4-6H2,1-3H3,(H2,12,14)(H,13,16)
InChIKeyLUIGJJUEYPSPCC-UHFFFAOYSA-N
XLogP1.32
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3,3-dimethylpyrrolidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-(3,3-dimethylpyrrolidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide (CID 103383454) is 3-amino-5-(3,3-dimethylpyrrolidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-(3,3-dimethylpyrrolidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-(3,3-dimethylpyrrolidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide is CNC(=O)c1c(N)nsc1N1CCC(C)(C)C1.
What is the InChIKey of 3-amino-5-(3,3-dimethylpyrrolidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is LUIGJJUEYPSPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-11(2)4-5-15(6-11)10-7(9(16)13-3)8(12)14-17-10/h4-6H2,1-3H3,(H2,12,14)(H,13,16).
What are the key properties of 3-amino-5-(3,3-dimethylpyrrolidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide?
3-amino-5-(3,3-dimethylpyrrolidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 254.36 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3,3-dimethylpyrrolidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103383454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).