4-[(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)methylamino]benzonitrile

C18H18N4S2 — CID 155311047

IUPAC4-[(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)methylamino]benzonitrile
SMILESN#Cc1ccc(NCc2cc3sc(N4CCCCC4)nc3s2)cc1
InChIInChI=1S/C18H18N4S2/c19-11-13-4-6-14(7-5-13)20-12-15-10-16-17(23-15)21-18(24-16)22-8-2-1-3-9-22/h4-7,10,20H,1-3,8-9,12H2
InChIKeyYKBNSQTYUNBQHK-UHFFFAOYSA-N
MW354.50 g/mol
LogP4.83
Rot. Bonds4

About 4-[(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)methylamino]benzonitrile

4-[(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)methylamino]benzonitrile (PubChem CID 155311047) has the molecular formula C18H18N4S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is 4-[(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)methylamino]benzonitrile.

Molecular Properties

Compound Name4-[(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)methylamino]benzonitrile
PubChem CID155311047
Molecular FormulaC18H18N4S2
Molecular Weight354.50 g/mol
Exact Mass354.10
IUPAC Name4-[(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)methylamino]benzonitrile
SMILESN#Cc1ccc(NCc2cc3sc(N4CCCCC4)nc3s2)cc1
InChIInChI=1S/C18H18N4S2/c19-11-13-4-6-14(7-5-13)20-12-15-10-16-17(23-15)21-18(24-16)22-8-2-1-3-9-22/h4-7,10,20H,1-3,8-9,12H2
InChIKeyYKBNSQTYUNBQHK-UHFFFAOYSA-N
XLogP4.83
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)methylamino]benzonitrile?
The IUPAC name of 4-[(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)methylamino]benzonitrile (CID 155311047) is 4-[(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)methylamino]benzonitrile.
What is the SMILES notation for 4-[(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)methylamino]benzonitrile?
The canonical SMILES for 4-[(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)methylamino]benzonitrile is N#Cc1ccc(NCc2cc3sc(N4CCCCC4)nc3s2)cc1.
What is the InChIKey of 4-[(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)methylamino]benzonitrile?
The InChIKey is YKBNSQTYUNBQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4S2/c19-11-13-4-6-14(7-5-13)20-12-15-10-16-17(23-15)21-18(24-16)22-8-2-1-3-9-22/h4-7,10,20H,1-3,8-9,12H2.
What are the key properties of 4-[(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)methylamino]benzonitrile?
4-[(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)methylamino]benzonitrile has a molecular weight of 354.50 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)methylamino]benzonitrile is sourced from PubChem (CID 155311047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).