1-[3-(1,3-thiazol-4-yl)phenyl]-N-(2-thiophen-2-ylethyl)piperidin-4-amine

C20H23N3S2 — CID 30898551

IUPAC1-[3-(1,3-thiazol-4-yl)phenyl]-N-(2-thiophen-2-ylethyl)piperidin-4-amine
SMILESc1cc(-c2cscn2)cc(N2CCC(NCCc3cccs3)CC2)c1
InChIInChI=1S/C20H23N3S2/c1-3-16(20-14-24-15-22-20)13-18(4-1)23-10-7-17(8-11-23)21-9-6-19-5-2-12-25-19/h1-5,12-15,17,21H,6-11H2
InChIKeySFFSDFWRCKZAQY-UHFFFAOYSA-N
MW369.56 g/mol
LogP4.67
Rot. Bonds6

About 1-[3-(1,3-thiazol-4-yl)phenyl]-N-(2-thiophen-2-ylethyl)piperidin-4-amine

1-[3-(1,3-thiazol-4-yl)phenyl]-N-(2-thiophen-2-ylethyl)piperidin-4-amine (PubChem CID 30898551) has the molecular formula C20H23N3S2 and a molecular weight of 369.56 g/mol. Its IUPAC name is 1-[3-(1,3-thiazol-4-yl)phenyl]-N-(2-thiophen-2-ylethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(1,3-thiazol-4-yl)phenyl]-N-(2-thiophen-2-ylethyl)piperidin-4-amine
PubChem CID30898551
Molecular FormulaC20H23N3S2
Molecular Weight369.56 g/mol
Exact Mass369.13
IUPAC Name1-[3-(1,3-thiazol-4-yl)phenyl]-N-(2-thiophen-2-ylethyl)piperidin-4-amine
SMILESc1cc(-c2cscn2)cc(N2CCC(NCCc3cccs3)CC2)c1
InChIInChI=1S/C20H23N3S2/c1-3-16(20-14-24-15-22-20)13-18(4-1)23-10-7-17(8-11-23)21-9-6-19-5-2-12-25-19/h1-5,12-15,17,21H,6-11H2
InChIKeySFFSDFWRCKZAQY-UHFFFAOYSA-N
XLogP4.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.56
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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n-Isopropyl-4-(2-(2-propylpyridin-4-yl)thiazol-4-yl)benzenamine
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CID 25012899
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2-(3-Pyridinyl)-4-thiophen-2-ylthiazole
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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,3-thiazol-4-yl)phenyl]-N-(2-thiophen-2-ylethyl)piperidin-4-amine?
The IUPAC name of 1-[3-(1,3-thiazol-4-yl)phenyl]-N-(2-thiophen-2-ylethyl)piperidin-4-amine (CID 30898551) is 1-[3-(1,3-thiazol-4-yl)phenyl]-N-(2-thiophen-2-ylethyl)piperidin-4-amine.
What is the SMILES notation for 1-[3-(1,3-thiazol-4-yl)phenyl]-N-(2-thiophen-2-ylethyl)piperidin-4-amine?
The canonical SMILES for 1-[3-(1,3-thiazol-4-yl)phenyl]-N-(2-thiophen-2-ylethyl)piperidin-4-amine is c1cc(-c2cscn2)cc(N2CCC(NCCc3cccs3)CC2)c1.
What is the InChIKey of 1-[3-(1,3-thiazol-4-yl)phenyl]-N-(2-thiophen-2-ylethyl)piperidin-4-amine?
The InChIKey is SFFSDFWRCKZAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3S2/c1-3-16(20-14-24-15-22-20)13-18(4-1)23-10-7-17(8-11-23)21-9-6-19-5-2-12-25-19/h1-5,12-15,17,21H,6-11H2.
What are the key properties of 1-[3-(1,3-thiazol-4-yl)phenyl]-N-(2-thiophen-2-ylethyl)piperidin-4-amine?
1-[3-(1,3-thiazol-4-yl)phenyl]-N-(2-thiophen-2-ylethyl)piperidin-4-amine has a molecular weight of 369.56 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,3-thiazol-4-yl)phenyl]-N-(2-thiophen-2-ylethyl)piperidin-4-amine is sourced from PubChem (CID 30898551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).