3-amino-5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-1,2-thiazole-4-carboxamide

C12H21N5OS — CID 103383573

IUPAC3-amino-5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1N1CC(C)C(N(C)C)C1
InChIInChI=1S/C12H21N5OS/c1-7-5-17(6-8(7)16(3)4)12-9(11(18)14-2)10(13)15-19-12/h7-8H,5-6H2,1-4H3,(H2,13,15)(H,14,18)
InChIKeyJFAUPBAZRGYNEJ-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.47
Rot. Bonds3

About 3-amino-5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-1,2-thiazole-4-carboxamide

3-amino-5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-1,2-thiazole-4-carboxamide (PubChem CID 103383573) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-amino-5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-1,2-thiazole-4-carboxamide
PubChem CID103383573
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC Name3-amino-5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1N1CC(C)C(N(C)C)C1
InChIInChI=1S/C12H21N5OS/c1-7-5-17(6-8(7)16(3)4)12-9(11(18)14-2)10(13)15-19-12/h7-8H,5-6H2,1-4H3,(H2,13,15)(H,14,18)
InChIKeyJFAUPBAZRGYNEJ-UHFFFAOYSA-N
XLogP0.47
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-1,2-thiazole-4-carboxamide (CID 103383573) is 3-amino-5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-1,2-thiazole-4-carboxamide is CNC(=O)c1c(N)nsc1N1CC(C)C(N(C)C)C1.
What is the InChIKey of 3-amino-5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is JFAUPBAZRGYNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-7-5-17(6-8(7)16(3)4)12-9(11(18)14-2)10(13)15-19-12/h7-8H,5-6H2,1-4H3,(H2,13,15)(H,14,18).
What are the key properties of 3-amino-5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-1,2-thiazole-4-carboxamide?
3-amino-5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103383573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).