1,3-thiazol-4-yl-[4-[(4-thiophen-3-yltriazol-1-yl)methyl]piperidin-1-yl]methanone

C16H17N5OS2 — CID 28871692

IUPAC1,3-thiazol-4-yl-[4-[(4-thiophen-3-yltriazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1cscn1)N1CCC(Cn2cc(-c3ccsc3)nn2)CC1
InChIInChI=1S/C16H17N5OS2/c22-16(15-10-24-11-17-15)20-4-1-12(2-5-20)7-21-8-14(18-19-21)13-3-6-23-9-13/h3,6,8-12H,1-2,4-5,7H2
InChIKeyJEOFMSIYCVIUCZ-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.02
Rot. Bonds4

About 1,3-thiazol-4-yl-[4-[(4-thiophen-3-yltriazol-1-yl)methyl]piperidin-1-yl]methanone

1,3-thiazol-4-yl-[4-[(4-thiophen-3-yltriazol-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 28871692) has the molecular formula C16H17N5OS2 and a molecular weight of 359.48 g/mol. Its IUPAC name is 1,3-thiazol-4-yl-[4-[(4-thiophen-3-yltriazol-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-thiazol-4-yl-[4-[(4-thiophen-3-yltriazol-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID28871692
Molecular FormulaC16H17N5OS2
Molecular Weight359.48 g/mol
Exact Mass359.09
IUPAC Name1,3-thiazol-4-yl-[4-[(4-thiophen-3-yltriazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1cscn1)N1CCC(Cn2cc(-c3ccsc3)nn2)CC1
InChIInChI=1S/C16H17N5OS2/c22-16(15-10-24-11-17-15)20-4-1-12(2-5-20)7-21-8-14(18-19-21)13-3-6-23-9-13/h3,6,8-12H,1-2,4-5,7H2
InChIKeyJEOFMSIYCVIUCZ-UHFFFAOYSA-N
XLogP3.02
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-4-yl-[4-[(4-thiophen-3-yltriazol-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of 1,3-thiazol-4-yl-[4-[(4-thiophen-3-yltriazol-1-yl)methyl]piperidin-1-yl]methanone (CID 28871692) is 1,3-thiazol-4-yl-[4-[(4-thiophen-3-yltriazol-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for 1,3-thiazol-4-yl-[4-[(4-thiophen-3-yltriazol-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for 1,3-thiazol-4-yl-[4-[(4-thiophen-3-yltriazol-1-yl)methyl]piperidin-1-yl]methanone is O=C(c1cscn1)N1CCC(Cn2cc(-c3ccsc3)nn2)CC1.
What is the InChIKey of 1,3-thiazol-4-yl-[4-[(4-thiophen-3-yltriazol-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is JEOFMSIYCVIUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS2/c22-16(15-10-24-11-17-15)20-4-1-12(2-5-20)7-21-8-14(18-19-21)13-3-6-23-9-13/h3,6,8-12H,1-2,4-5,7H2.
What are the key properties of 1,3-thiazol-4-yl-[4-[(4-thiophen-3-yltriazol-1-yl)methyl]piperidin-1-yl]methanone?
1,3-thiazol-4-yl-[4-[(4-thiophen-3-yltriazol-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 359.48 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-4-yl-[4-[(4-thiophen-3-yltriazol-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 28871692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).