2-methyl-4-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1,3-thiazole

C19H25N3S — CID 31160789

IUPAC2-methyl-4-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1,3-thiazole
SMILESCc1nc(-c2cccc(N3CCC(N4CCCC4)CC3)c2)cs1
InChIInChI=1S/C19H25N3S/c1-15-20-19(14-23-15)16-5-4-6-18(13-16)22-11-7-17(8-12-22)21-9-2-3-10-21/h4-6,13-14,17H,2-3,7-12H2,1H3
InChIKeyAGVSEHWDVWEDJP-UHFFFAOYSA-N
MW327.50 g/mol
LogP4.18
Rot. Bonds3

About 2-methyl-4-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1,3-thiazole

2-methyl-4-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1,3-thiazole (PubChem CID 31160789) has the molecular formula C19H25N3S and a molecular weight of 327.50 g/mol. Its IUPAC name is 2-methyl-4-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1,3-thiazole
PubChem CID31160789
Molecular FormulaC19H25N3S
Molecular Weight327.50 g/mol
Exact Mass327.18
IUPAC Name2-methyl-4-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1,3-thiazole
SMILESCc1nc(-c2cccc(N3CCC(N4CCCC4)CC3)c2)cs1
InChIInChI=1S/C19H25N3S/c1-15-20-19(14-23-15)16-5-4-6-18(13-16)22-11-7-17(8-12-22)21-9-2-3-10-21/h4-6,13-14,17H,2-3,7-12H2,1H3
InChIKeyAGVSEHWDVWEDJP-UHFFFAOYSA-N
XLogP4.18
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.50
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1,3-thiazole (CID 31160789) is 2-methyl-4-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1,3-thiazole is Cc1nc(-c2cccc(N3CCC(N4CCCC4)CC3)c2)cs1.
What is the InChIKey of 2-methyl-4-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1,3-thiazole?
The InChIKey is AGVSEHWDVWEDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3S/c1-15-20-19(14-23-15)16-5-4-6-18(13-16)22-11-7-17(8-12-22)21-9-2-3-10-21/h4-6,13-14,17H,2-3,7-12H2,1H3.
What are the key properties of 2-methyl-4-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1,3-thiazole?
2-methyl-4-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1,3-thiazole has a molecular weight of 327.50 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1,3-thiazole is sourced from PubChem (CID 31160789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).