2-(2-methyl-1,3-benzoxazol-6-yl)-1-(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)ethanone

C20H19N3O2S2 — CID 158881016

IUPAC2-(2-methyl-1,3-benzoxazol-6-yl)-1-(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)ethanone
SMILESCc1nc2ccc(CC(=O)c3cc4sc(N5CCCCC5)nc4s3)cc2o1
InChIInChI=1S/C20H19N3O2S2/c1-12-21-14-6-5-13(10-16(14)25-12)9-15(24)17-11-18-19(26-17)22-20(27-18)23-7-3-2-4-8-23/h5-6,10-11H,2-4,7-9H2,1H3
InChIKeyJDAHFKSYWVHQAJ-UHFFFAOYSA-N
MW397.53 g/mol
LogP5.22
Rot. Bonds4

About 2-(2-methyl-1,3-benzoxazol-6-yl)-1-(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)ethanone

2-(2-methyl-1,3-benzoxazol-6-yl)-1-(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)ethanone (PubChem CID 158881016) has the molecular formula C20H19N3O2S2 and a molecular weight of 397.53 g/mol. Its IUPAC name is 2-(2-methyl-1,3-benzoxazol-6-yl)-1-(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(2-methyl-1,3-benzoxazol-6-yl)-1-(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)ethanone
PubChem CID158881016
Molecular FormulaC20H19N3O2S2
Molecular Weight397.53 g/mol
Exact Mass397.09
IUPAC Name2-(2-methyl-1,3-benzoxazol-6-yl)-1-(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)ethanone
SMILESCc1nc2ccc(CC(=O)c3cc4sc(N5CCCCC5)nc4s3)cc2o1
InChIInChI=1S/C20H19N3O2S2/c1-12-21-14-6-5-13(10-16(14)25-12)9-15(24)17-11-18-19(26-17)22-20(27-18)23-7-3-2-4-8-23/h5-6,10-11H,2-4,7-9H2,1H3
InChIKeyJDAHFKSYWVHQAJ-UHFFFAOYSA-N
XLogP5.22
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.53
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618713
2-(3,4-difluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone
CID 159134942
2-(4-fluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone
CID 159657618
N-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 136538806
1,1,1-trifluoro-3-(2-methyl-1,3-benzoxazol-6-yl)propan-2-one
CID 167601007
2-amino-3-(2-methyl-1,3-benzoxazol-6-yl)propanamide
CID 116850890
2-methyl-3-[methyl-(2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carbonyl)amino]propanoic acid
CID 122111450
N-(2-methyl-1,3-benzoxazol-6-yl)-2-piperidin-1-yl-7H-thiopyrano[2,3-d][1,3]thiazole-5-carboxamide;molecular hydrogen
CID 144980284
methyl 4-[4-[2-(2-methyl-1,3-benzoxazol-6-yl)acetyl]piperazin-1-yl]-4-oxobutanoate
CID 110801388
2-(2-methyl-1,3-benzoxazol-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110772058
N-(3-amino-2-methylpropyl)-2-(2-methyl-1,3-benzoxazol-6-yl)acetamide
CID 115271704
2-(2-methyl-1,3-benzoxazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110773791

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-benzoxazol-6-yl)-1-(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)ethanone?
The IUPAC name of 2-(2-methyl-1,3-benzoxazol-6-yl)-1-(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)ethanone (CID 158881016) is 2-(2-methyl-1,3-benzoxazol-6-yl)-1-(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)ethanone.
What is the SMILES notation for 2-(2-methyl-1,3-benzoxazol-6-yl)-1-(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)ethanone?
The canonical SMILES for 2-(2-methyl-1,3-benzoxazol-6-yl)-1-(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)ethanone is Cc1nc2ccc(CC(=O)c3cc4sc(N5CCCCC5)nc4s3)cc2o1.
What is the InChIKey of 2-(2-methyl-1,3-benzoxazol-6-yl)-1-(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)ethanone?
The InChIKey is JDAHFKSYWVHQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S2/c1-12-21-14-6-5-13(10-16(14)25-12)9-15(24)17-11-18-19(26-17)22-20(27-18)23-7-3-2-4-8-23/h5-6,10-11H,2-4,7-9H2,1H3.
What are the key properties of 2-(2-methyl-1,3-benzoxazol-6-yl)-1-(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)ethanone?
2-(2-methyl-1,3-benzoxazol-6-yl)-1-(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)ethanone has a molecular weight of 397.53 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-benzoxazol-6-yl)-1-(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)ethanone is sourced from PubChem (CID 158881016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).