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

C10H16N4OS — CID 63167267

IUPAC(2-amino-1,3-thiazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2csc(N)n2)C1
InChIInChI=1S/C10H16N4OS/c1-13(2)7-3-4-14(5-7)9(15)8-6-16-10(11)12-8/h6-7H,3-5H2,1-2H3,(H2,11,12)
InChIKeyGYQQREXJZFIJOI-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.50
Rot. Bonds2

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

(2-amino-1,3-thiazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone (PubChem CID 63167267) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-1,3-thiazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
PubChem CID63167267
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name(2-amino-1,3-thiazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2csc(N)n2)C1
InChIInChI=1S/C10H16N4OS/c1-13(2)7-3-4-14(5-7)9(15)8-6-16-10(11)12-8/h6-7H,3-5H2,1-2H3,(H2,11,12)
InChIKeyGYQQREXJZFIJOI-UHFFFAOYSA-N
XLogP0.50
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-amino-1,3-thiazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone (CID 63167267) is (2-amino-1,3-thiazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-amino-1,3-thiazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-amino-1,3-thiazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone is CN(C)C1CCN(C(=O)c2csc(N)n2)C1.
What is the InChIKey of (2-amino-1,3-thiazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is GYQQREXJZFIJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-13(2)7-3-4-14(5-7)9(15)8-6-16-10(11)12-8/h6-7H,3-5H2,1-2H3,(H2,11,12).
What are the key properties of (2-amino-1,3-thiazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
(2-amino-1,3-thiazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 240.33 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-thiazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 63167267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).