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

C12H20N4O2S — CID 116667002

IUPAC[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2sc(N(C)C)nc2N)C1
InChIInChI=1S/C12H20N4O2S/c1-15(2)12-14-10(13)9(19-12)11(17)16-5-4-8(6-16)7-18-3/h8H,4-7,13H2,1-3H3
InChIKeyHFVWGCDUVNFBNR-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.90
Rot. Bonds4

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

[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 116667002) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID116667002
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2sc(N(C)C)nc2N)C1
InChIInChI=1S/C12H20N4O2S/c1-15(2)12-14-10(13)9(19-12)11(17)16-5-4-8(6-16)7-18-3/h8H,4-7,13H2,1-3H3
InChIKeyHFVWGCDUVNFBNR-UHFFFAOYSA-N
XLogP0.90
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.90
H-Bond Donors ≤ 51
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]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone (CID 116667002) is [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone is COCC1CCN(C(=O)c2sc(N(C)C)nc2N)C1.
What is the InChIKey of [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is HFVWGCDUVNFBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-15(2)12-14-10(13)9(19-12)11(17)16-5-4-8(6-16)7-18-3/h8H,4-7,13H2,1-3H3.
What are the key properties of [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 284.38 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 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]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 116667002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).