2-[4-[[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]phenyl]ethanamine

C24H29N3S — CID 165423845

IUPAC2-[4-[[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]phenyl]ethanamine
SMILESCc1nc(C2(c3ccccc3)CCN(Cc3ccc(CCN)cc3)CC2)cs1
InChIInChI=1S/C24H29N3S/c1-19-26-23(18-28-19)24(22-5-3-2-4-6-22)12-15-27(16-13-24)17-21-9-7-20(8-10-21)11-14-25/h2-10,18H,11-17,25H2,1H3
InChIKeyCRDYXITVQMPXMG-UHFFFAOYSA-N
MW391.58 g/mol
LogP4.53
Rot. Bonds6

About 2-[4-[[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]phenyl]ethanamine

2-[4-[[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]phenyl]ethanamine (PubChem CID 165423845) has the molecular formula C24H29N3S and a molecular weight of 391.58 g/mol. Its IUPAC name is 2-[4-[[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]phenyl]ethanamine
PubChem CID165423845
Molecular FormulaC24H29N3S
Molecular Weight391.58 g/mol
Exact Mass391.21
IUPAC Name2-[4-[[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]phenyl]ethanamine
SMILESCc1nc(C2(c3ccccc3)CCN(Cc3ccc(CCN)cc3)CC2)cs1
InChIInChI=1S/C24H29N3S/c1-19-26-23(18-28-19)24(22-5-3-2-4-6-22)12-15-27(16-13-24)17-21-9-7-20(8-10-21)11-14-25/h2-10,18H,11-17,25H2,1H3
InChIKeyCRDYXITVQMPXMG-UHFFFAOYSA-N
XLogP4.53
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.58
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]phenyl]ethanamine?
The IUPAC name of 2-[4-[[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]phenyl]ethanamine (CID 165423845) is 2-[4-[[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]phenyl]ethanamine?
The canonical SMILES for 2-[4-[[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]phenyl]ethanamine is Cc1nc(C2(c3ccccc3)CCN(Cc3ccc(CCN)cc3)CC2)cs1.
What is the InChIKey of 2-[4-[[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]phenyl]ethanamine?
The InChIKey is CRDYXITVQMPXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3S/c1-19-26-23(18-28-19)24(22-5-3-2-4-6-22)12-15-27(16-13-24)17-21-9-7-20(8-10-21)11-14-25/h2-10,18H,11-17,25H2,1H3.
What are the key properties of 2-[4-[[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]phenyl]ethanamine?
2-[4-[[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]phenyl]ethanamine has a molecular weight of 391.58 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]phenyl]ethanamine is sourced from PubChem (CID 165423845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).