N-(1-pyridin-4-ylpiperidin-4-yl)-2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-amine

C21H23N5S — CID 167902629

IUPACN-(1-pyridin-4-ylpiperidin-4-yl)-2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-amine
SMILESc1cc2c(c(NC3CCN(c4ccncc4)CC3)c1)CN(c1nccs1)C2
InChIInChI=1S/C21H23N5S/c1-2-16-14-26(21-23-10-13-27-21)15-19(16)20(3-1)24-17-6-11-25(12-7-17)18-4-8-22-9-5-18/h1-5,8-10,13,17,24H,6-7,11-12,14-15H2
InChIKeyBQLPWEZPISWBTM-UHFFFAOYSA-N
MW377.52 g/mol
LogP4.14
Rot. Bonds4

About N-(1-pyridin-4-ylpiperidin-4-yl)-2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-amine

N-(1-pyridin-4-ylpiperidin-4-yl)-2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-amine (PubChem CID 167902629) has the molecular formula C21H23N5S and a molecular weight of 377.52 g/mol. Its IUPAC name is N-(1-pyridin-4-ylpiperidin-4-yl)-2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound NameN-(1-pyridin-4-ylpiperidin-4-yl)-2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-amine
PubChem CID167902629
Molecular FormulaC21H23N5S
Molecular Weight377.52 g/mol
Exact Mass377.17
IUPAC NameN-(1-pyridin-4-ylpiperidin-4-yl)-2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-amine
SMILESc1cc2c(c(NC3CCN(c4ccncc4)CC3)c1)CN(c1nccs1)C2
InChIInChI=1S/C21H23N5S/c1-2-16-14-26(21-23-10-13-27-21)15-19(16)20(3-1)24-17-6-11-25(12-7-17)18-4-8-22-9-5-18/h1-5,8-10,13,17,24H,6-7,11-12,14-15H2
InChIKeyBQLPWEZPISWBTM-UHFFFAOYSA-N
XLogP4.14
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.52
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-4-ylpiperidin-4-yl)-2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-amine?
The IUPAC name of N-(1-pyridin-4-ylpiperidin-4-yl)-2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-amine (CID 167902629) is N-(1-pyridin-4-ylpiperidin-4-yl)-2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for N-(1-pyridin-4-ylpiperidin-4-yl)-2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-amine?
The canonical SMILES for N-(1-pyridin-4-ylpiperidin-4-yl)-2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-amine is c1cc2c(c(NC3CCN(c4ccncc4)CC3)c1)CN(c1nccs1)C2.
What is the InChIKey of N-(1-pyridin-4-ylpiperidin-4-yl)-2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-amine?
The InChIKey is BQLPWEZPISWBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5S/c1-2-16-14-26(21-23-10-13-27-21)15-19(16)20(3-1)24-17-6-11-25(12-7-17)18-4-8-22-9-5-18/h1-5,8-10,13,17,24H,6-7,11-12,14-15H2.
What are the key properties of N-(1-pyridin-4-ylpiperidin-4-yl)-2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-amine?
N-(1-pyridin-4-ylpiperidin-4-yl)-2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-amine has a molecular weight of 377.52 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-4-ylpiperidin-4-yl)-2-(1,3-thiazol-2-yl)-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 167902629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).