[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone

C12H20N4O2S — CID 102790029

IUPAC[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
SMILESCC1CCN(C(=O)c2sc(N(C)C)nc2N)C1CO
InChIInChI=1S/C12H20N4O2S/c1-7-4-5-16(8(7)6-17)11(18)9-10(13)14-12(19-9)15(2)3/h7-8,17H,4-6,13H2,1-3H3
InChIKeyDNNYSNFHJJRMIW-UHFFFAOYSA-N
MW284.39 g/mol
LogP0.63
Rot. Bonds3

About [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone

[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone (PubChem CID 102790029) has the molecular formula C12H20N4O2S and a molecular weight of 284.39 g/mol. Its IUPAC name is [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
PubChem CID102790029
Molecular FormulaC12H20N4O2S
Molecular Weight284.39 g/mol
Exact Mass284.13
IUPAC Name[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
SMILESCC1CCN(C(=O)c2sc(N(C)C)nc2N)C1CO
InChIInChI=1S/C12H20N4O2S/c1-7-4-5-16(8(7)6-17)11(18)9-10(13)14-12(19-9)15(2)3/h7-8,17H,4-6,13H2,1-3H3
InChIKeyDNNYSNFHJJRMIW-UHFFFAOYSA-N
XLogP0.63
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The IUPAC name of [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone (CID 102790029) is [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone is CC1CCN(C(=O)c2sc(N(C)C)nc2N)C1CO.
What is the InChIKey of [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The InChIKey is DNNYSNFHJJRMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-7-4-5-16(8(7)6-17)11(18)9-10(13)14-12(19-9)15(2)3/h7-8,17H,4-6,13H2,1-3H3.
What are the key properties of [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone has a molecular weight of 284.39 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 102790029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).