ethyl 2-[2-[6-(dimethylamino)-3-pyridinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetate

C18H19N3O2S2 — CID 59384893

IUPACethyl 2-[2-[6-(dimethylamino)-3-pyridinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetate
SMILESCCOC(=O)Cc1sc(-c2ccc(N(C)C)nc2)nc1-c1cccs1
InChIInChI=1S/C18H19N3O2S2/c1-4-23-16(22)10-14-17(13-6-5-9-24-13)20-18(25-14)12-7-8-15(19-11-12)21(2)3/h5-9,11H,4,10H2,1-3H3
InChIKeyZTRIXCMPRMGEPZ-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.11
Rot. Bonds6

About ethyl 2-[2-[6-(dimethylamino)-3-pyridinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetate

ethyl 2-[2-[6-(dimethylamino)-3-pyridinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetate (PubChem CID 59384893) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is ethyl 2-[2-[6-(dimethylamino)-3-pyridinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[6-(dimethylamino)-3-pyridinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetate
PubChem CID59384893
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC Nameethyl 2-[2-[6-(dimethylamino)-3-pyridinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetate
SMILESCCOC(=O)Cc1sc(-c2ccc(N(C)C)nc2)nc1-c1cccs1
InChIInChI=1S/C18H19N3O2S2/c1-4-23-16(22)10-14-17(13-6-5-9-24-13)20-18(25-14)12-7-8-15(19-11-12)21(2)3/h5-9,11H,4,10H2,1-3H3
InChIKeyZTRIXCMPRMGEPZ-UHFFFAOYSA-N
XLogP4.11
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[6-(dimethylamino)-3-pyridinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetate?
The IUPAC name of ethyl 2-[2-[6-(dimethylamino)-3-pyridinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetate (CID 59384893) is ethyl 2-[2-[6-(dimethylamino)-3-pyridinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[6-(dimethylamino)-3-pyridinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetate?
The canonical SMILES for ethyl 2-[2-[6-(dimethylamino)-3-pyridinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetate is CCOC(=O)Cc1sc(-c2ccc(N(C)C)nc2)nc1-c1cccs1.
What is the InChIKey of ethyl 2-[2-[6-(dimethylamino)-3-pyridinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetate?
The InChIKey is ZTRIXCMPRMGEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c1-4-23-16(22)10-14-17(13-6-5-9-24-13)20-18(25-14)12-7-8-15(19-11-12)21(2)3/h5-9,11H,4,10H2,1-3H3.
What are the key properties of ethyl 2-[2-[6-(dimethylamino)-3-pyridinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetate?
ethyl 2-[2-[6-(dimethylamino)-3-pyridinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetate has a molecular weight of 373.50 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[6-(dimethylamino)-3-pyridinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetate is sourced from PubChem (CID 59384893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).