[3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]-piperidin-1-ylmethanone

C19H20N2O2S2 — CID 39754453

IUPAC[3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]-piperidin-1-ylmethanone
SMILESCc1csc(SCc2c(C(=O)N3CCCCC3)oc3ccccc23)n1
InChIInChI=1S/C19H20N2O2S2/c1-13-11-24-19(20-13)25-12-15-14-7-3-4-8-16(14)23-17(15)18(22)21-9-5-2-6-10-21/h3-4,7-8,11H,2,5-6,9-10,12H2,1H3
InChIKeyNQHPSBPSNKQCIJ-UHFFFAOYSA-N
MW372.52 g/mol
LogP5.12
Rot. Bonds4

About [3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]-piperidin-1-ylmethanone

[3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]-piperidin-1-ylmethanone (PubChem CID 39754453) has the molecular formula C19H20N2O2S2 and a molecular weight of 372.52 g/mol. Its IUPAC name is [3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]-piperidin-1-ylmethanone
PubChem CID39754453
Molecular FormulaC19H20N2O2S2
Molecular Weight372.52 g/mol
Exact Mass372.10
IUPAC Name[3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]-piperidin-1-ylmethanone
SMILESCc1csc(SCc2c(C(=O)N3CCCCC3)oc3ccccc23)n1
InChIInChI=1S/C19H20N2O2S2/c1-13-11-24-19(20-13)25-12-15-14-7-3-4-8-16(14)23-17(15)18(22)21-9-5-2-6-10-21/h3-4,7-8,11H,2,5-6,9-10,12H2,1H3
InChIKeyNQHPSBPSNKQCIJ-UHFFFAOYSA-N
XLogP5.12
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.52
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

[4-(2-hydroxyphenyl)piperazin-1-yl]-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]methanone
CID 25355482
[3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 31566183
4-[[4-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carbonyl]piperazin-1-yl]methyl]benzonitrile
CID 31111531
2-[4-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 55456322
N-methoxy-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxamide
CID 33101071
N-(cyclopropylmethyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxamide
CID 30752511
3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide
CID 30832009
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carbohydrazide
CID 39755587
N-butyl-N-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxamide
CID 32903669
3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-pentyl-1-benzofuran-2-carboxamide
CID 39754491
3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 86977795
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxamide
CID 46539657

Frequently Asked Questions

What is the IUPAC name of [3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]-piperidin-1-ylmethanone (CID 39754453) is [3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]-piperidin-1-ylmethanone is Cc1csc(SCc2c(C(=O)N3CCCCC3)oc3ccccc23)n1.
What is the InChIKey of [3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]-piperidin-1-ylmethanone?
The InChIKey is NQHPSBPSNKQCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S2/c1-13-11-24-19(20-13)25-12-15-14-7-3-4-8-16(14)23-17(15)18(22)21-9-5-2-6-10-21/h3-4,7-8,11H,2,5-6,9-10,12H2,1H3.
What are the key properties of [3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]-piperidin-1-ylmethanone?
[3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]-piperidin-1-ylmethanone has a molecular weight of 372.52 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 39754453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).