[2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone

C19H21N3O2S2 — CID 75403717

IUPAC[2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCOc1ccccc1Nc1nc2sc(C(=O)N3CCCCC3C)cc2s1
InChIInChI=1S/C19H21N3O2S2/c1-12-7-5-6-10-22(12)18(23)16-11-15-17(25-16)21-19(26-15)20-13-8-3-4-9-14(13)24-2/h3-4,8-9,11-12H,5-7,10H2,1-2H3,(H,20,21)
InChIKeyZAFRMQKBQQHLDA-UHFFFAOYSA-N
MW387.53 g/mol
LogP5.12
Rot. Bonds4

About [2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone

[2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone (PubChem CID 75403717) has the molecular formula C19H21N3O2S2 and a molecular weight of 387.53 g/mol. Its IUPAC name is [2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone
PubChem CID75403717
Molecular FormulaC19H21N3O2S2
Molecular Weight387.53 g/mol
Exact Mass387.11
IUPAC Name[2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCOc1ccccc1Nc1nc2sc(C(=O)N3CCCCC3C)cc2s1
InChIInChI=1S/C19H21N3O2S2/c1-12-7-5-6-10-22(12)18(23)16-11-15-17(25-16)21-19(26-15)20-13-8-3-4-9-14(13)24-2/h3-4,8-9,11-12H,5-7,10H2,1-2H3,(H,20,21)
InChIKeyZAFRMQKBQQHLDA-UHFFFAOYSA-N
XLogP5.12
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone (CID 75403717) is [2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone is COc1ccccc1Nc1nc2sc(C(=O)N3CCCCC3C)cc2s1.
What is the InChIKey of [2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone?
The InChIKey is ZAFRMQKBQQHLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S2/c1-12-7-5-6-10-22(12)18(23)16-11-15-17(25-16)21-19(26-15)20-13-8-3-4-9-14(13)24-2/h3-4,8-9,11-12H,5-7,10H2,1-2H3,(H,20,21).
What are the key properties of [2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone?
[2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone has a molecular weight of 387.53 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 75403717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).