1-[4-(dimethylamino)-2-(methylamino)-1,3-thiazol-5-yl]ethanone

C8H13N3OS — CID 13118847

IUPAC1-[4-(dimethylamino)-2-(methylamino)-1,3-thiazol-5-yl]ethanone
SMILESCNc1nc(N(C)C)c(C(C)=O)s1
InChIInChI=1S/C8H13N3OS/c1-5(12)6-7(11(3)4)10-8(9-2)13-6/h1-4H3,(H,9,10)
InChIKeyUDIDGGKWMZBHOA-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.45
Rot. Bonds3

About 1-[4-(dimethylamino)-2-(methylamino)-1,3-thiazol-5-yl]ethanone

1-[4-(dimethylamino)-2-(methylamino)-1,3-thiazol-5-yl]ethanone (PubChem CID 13118847) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-2-(methylamino)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-(dimethylamino)-2-(methylamino)-1,3-thiazol-5-yl]ethanone
PubChem CID13118847
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name1-[4-(dimethylamino)-2-(methylamino)-1,3-thiazol-5-yl]ethanone
SMILESCNc1nc(N(C)C)c(C(C)=O)s1
InChIInChI=1S/C8H13N3OS/c1-5(12)6-7(11(3)4)10-8(9-2)13-6/h1-4H3,(H,9,10)
InChIKeyUDIDGGKWMZBHOA-UHFFFAOYSA-N
XLogP1.45
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-2-(methylamino)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-(dimethylamino)-2-(methylamino)-1,3-thiazol-5-yl]ethanone (CID 13118847) is 1-[4-(dimethylamino)-2-(methylamino)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-(dimethylamino)-2-(methylamino)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-(dimethylamino)-2-(methylamino)-1,3-thiazol-5-yl]ethanone is CNc1nc(N(C)C)c(C(C)=O)s1.
What is the InChIKey of 1-[4-(dimethylamino)-2-(methylamino)-1,3-thiazol-5-yl]ethanone?
The InChIKey is UDIDGGKWMZBHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-5(12)6-7(11(3)4)10-8(9-2)13-6/h1-4H3,(H,9,10).
What are the key properties of 1-[4-(dimethylamino)-2-(methylamino)-1,3-thiazol-5-yl]ethanone?
1-[4-(dimethylamino)-2-(methylamino)-1,3-thiazol-5-yl]ethanone has a molecular weight of 199.28 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-2-(methylamino)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 13118847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).