[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone

C20H17N3O2S2 — CID 17493120

IUPAC[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2cccs2)n1)N1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C20H17N3O2S2/c24-20(15-12-27-19(22-15)17-6-3-11-26-17)23-9-7-13(8-10-23)18-21-14-4-1-2-5-16(14)25-18/h1-6,11-13H,7-10H2
InChIKeyPTAXNTYOZQPZTE-UHFFFAOYSA-N
MW395.51 g/mol
LogP5.03
Rot. Bonds3

About [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone

[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 17493120) has the molecular formula C20H17N3O2S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
PubChem CID17493120
Molecular FormulaC20H17N3O2S2
Molecular Weight395.51 g/mol
Exact Mass395.08
IUPAC Name[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2cccs2)n1)N1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C20H17N3O2S2/c24-20(15-12-27-19(22-15)17-6-3-11-26-17)23-9-7-13(8-10-23)18-21-14-4-1-2-5-16(14)25-18/h1-6,11-13H,7-10H2
InChIKeyPTAXNTYOZQPZTE-UHFFFAOYSA-N
XLogP5.03
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 51304688
[4-(methylaminomethyl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 119546783
phenyl-[4-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
CID 78813030
piperidin-1-yl-[1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone
CID 55438799
[3-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 75131651
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 46471114
ethyl 1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate
CID 35512800
[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methanone
CID 31187508
[(3S)-3-hydroxypiperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 107224496
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 39978026
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-oxidopyridin-1-ium-4-yl)methanone
CID 51144949
1,3-benzothiazol-6-yl-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methanone
CID 9450209

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone (CID 17493120) is [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone is O=C(c1csc(-c2cccs2)n1)N1CCC(c2nc3ccccc3o2)CC1.
What is the InChIKey of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is PTAXNTYOZQPZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S2/c24-20(15-12-27-19(22-15)17-6-3-11-26-17)23-9-7-13(8-10-23)18-21-14-4-1-2-5-16(14)25-18/h1-6,11-13H,7-10H2.
What are the key properties of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone?
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 395.51 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 17493120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).