2-(3-methoxy-2-methylindazol-5-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole

C19H20N4OS2 — CID 168979229

IUPAC2-(3-methoxy-2-methylindazol-5-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole
SMILESCOc1c2cc(-c3nc4sc(C5CCNCC5)cc4s3)ccc2nn1C
InChIInChI=1S/C19H20N4OS2/c1-23-19(24-2)13-9-12(3-4-14(13)22-23)17-21-18-16(26-17)10-15(25-18)11-5-7-20-8-6-11/h3-4,9-11,20H,5-8H2,1-2H3
InChIKeyQUHPYMSUMCZGDV-UHFFFAOYSA-N
MW384.53 g/mol
LogP4.39
Rot. Bonds3

About 2-(3-methoxy-2-methylindazol-5-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole

2-(3-methoxy-2-methylindazol-5-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole (PubChem CID 168979229) has the molecular formula C19H20N4OS2 and a molecular weight of 384.53 g/mol. Its IUPAC name is 2-(3-methoxy-2-methylindazol-5-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole.

Molecular Properties

Compound Name2-(3-methoxy-2-methylindazol-5-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole
PubChem CID168979229
Molecular FormulaC19H20N4OS2
Molecular Weight384.53 g/mol
Exact Mass384.11
IUPAC Name2-(3-methoxy-2-methylindazol-5-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole
SMILESCOc1c2cc(-c3nc4sc(C5CCNCC5)cc4s3)ccc2nn1C
InChIInChI=1S/C19H20N4OS2/c1-23-19(24-2)13-9-12(3-4-14(13)22-23)17-21-18-16(26-17)10-15(25-18)11-5-7-20-8-6-11/h3-4,9-11,20H,5-8H2,1-2H3
InChIKeyQUHPYMSUMCZGDV-UHFFFAOYSA-N
XLogP4.39
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-2-methylindazol-5-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole?
The IUPAC name of 2-(3-methoxy-2-methylindazol-5-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole (CID 168979229) is 2-(3-methoxy-2-methylindazol-5-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole.
What is the SMILES notation for 2-(3-methoxy-2-methylindazol-5-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole?
The canonical SMILES for 2-(3-methoxy-2-methylindazol-5-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole is COc1c2cc(-c3nc4sc(C5CCNCC5)cc4s3)ccc2nn1C.
What is the InChIKey of 2-(3-methoxy-2-methylindazol-5-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole?
The InChIKey is QUHPYMSUMCZGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS2/c1-23-19(24-2)13-9-12(3-4-14(13)22-23)17-21-18-16(26-17)10-15(25-18)11-5-7-20-8-6-11/h3-4,9-11,20H,5-8H2,1-2H3.
What are the key properties of 2-(3-methoxy-2-methylindazol-5-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole?
2-(3-methoxy-2-methylindazol-5-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole has a molecular weight of 384.53 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-2-methylindazol-5-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole is sourced from PubChem (CID 168979229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).