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

C14H17N3OS — CID 82541122

IUPAC1-[4-[3-(dimethylamino)phenyl]-2-(methylamino)-1,3-thiazol-5-yl]ethanone
SMILESCNc1nc(-c2cccc(N(C)C)c2)c(C(C)=O)s1
InChIInChI=1S/C14H17N3OS/c1-9(18)13-12(16-14(15-2)19-13)10-6-5-7-11(8-10)17(3)4/h5-8H,1-4H3,(H,15,16)
InChIKeyZGSWZCOZNMAVLX-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.12
Rot. Bonds4

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

1-[4-[3-(dimethylamino)phenyl]-2-(methylamino)-1,3-thiazol-5-yl]ethanone (PubChem CID 82541122) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-[4-[3-(dimethylamino)phenyl]-2-(methylamino)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(dimethylamino)phenyl]-2-(methylamino)-1,3-thiazol-5-yl]ethanone
PubChem CID82541122
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name1-[4-[3-(dimethylamino)phenyl]-2-(methylamino)-1,3-thiazol-5-yl]ethanone
SMILESCNc1nc(-c2cccc(N(C)C)c2)c(C(C)=O)s1
InChIInChI=1S/C14H17N3OS/c1-9(18)13-12(16-14(15-2)19-13)10-6-5-7-11(8-10)17(3)4/h5-8H,1-4H3,(H,15,16)
InChIKeyZGSWZCOZNMAVLX-UHFFFAOYSA-N
XLogP3.12
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(dimethylamino)phenyl]-2-(methylamino)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-[3-(dimethylamino)phenyl]-2-(methylamino)-1,3-thiazol-5-yl]ethanone (CID 82541122) is 1-[4-[3-(dimethylamino)phenyl]-2-(methylamino)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(dimethylamino)phenyl]-2-(methylamino)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-[3-(dimethylamino)phenyl]-2-(methylamino)-1,3-thiazol-5-yl]ethanone is CNc1nc(-c2cccc(N(C)C)c2)c(C(C)=O)s1.
What is the InChIKey of 1-[4-[3-(dimethylamino)phenyl]-2-(methylamino)-1,3-thiazol-5-yl]ethanone?
The InChIKey is ZGSWZCOZNMAVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9(18)13-12(16-14(15-2)19-13)10-6-5-7-11(8-10)17(3)4/h5-8H,1-4H3,(H,15,16).
What are the key properties of 1-[4-[3-(dimethylamino)phenyl]-2-(methylamino)-1,3-thiazol-5-yl]ethanone?
1-[4-[3-(dimethylamino)phenyl]-2-(methylamino)-1,3-thiazol-5-yl]ethanone has a molecular weight of 275.38 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(dimethylamino)phenyl]-2-(methylamino)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 82541122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).