4-methyl-2-[2-(1-methylindol-3-yl)ethyl]-5-pyrrolidin-1-yl-1,3-thiazole

C19H23N3S — CID 169260109

IUPAC4-methyl-2-[2-(1-methylindol-3-yl)ethyl]-5-pyrrolidin-1-yl-1,3-thiazole
SMILESCc1nc(CCc2cn(C)c3ccccc23)sc1N1CCCC1
InChIInChI=1S/C19H23N3S/c1-14-19(22-11-5-6-12-22)23-18(20-14)10-9-15-13-21(2)17-8-4-3-7-16(15)17/h3-4,7-8,13H,5-6,9-12H2,1-2H3
InChIKeyRLJZFZIPBLYPOB-UHFFFAOYSA-N
MW325.48 g/mol
LogP4.33
Rot. Bonds4

About 4-methyl-2-[2-(1-methylindol-3-yl)ethyl]-5-pyrrolidin-1-yl-1,3-thiazole

4-methyl-2-[2-(1-methylindol-3-yl)ethyl]-5-pyrrolidin-1-yl-1,3-thiazole (PubChem CID 169260109) has the molecular formula C19H23N3S and a molecular weight of 325.48 g/mol. Its IUPAC name is 4-methyl-2-[2-(1-methylindol-3-yl)ethyl]-5-pyrrolidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[2-(1-methylindol-3-yl)ethyl]-5-pyrrolidin-1-yl-1,3-thiazole
PubChem CID169260109
Molecular FormulaC19H23N3S
Molecular Weight325.48 g/mol
Exact Mass325.16
IUPAC Name4-methyl-2-[2-(1-methylindol-3-yl)ethyl]-5-pyrrolidin-1-yl-1,3-thiazole
SMILESCc1nc(CCc2cn(C)c3ccccc23)sc1N1CCCC1
InChIInChI=1S/C19H23N3S/c1-14-19(22-11-5-6-12-22)23-18(20-14)10-9-15-13-21(2)17-8-4-3-7-16(15)17/h3-4,7-8,13H,5-6,9-12H2,1-2H3
InChIKeyRLJZFZIPBLYPOB-UHFFFAOYSA-N
XLogP4.33
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(1-methylindol-3-yl)ethyl]-5-pyrrolidin-1-yl-1,3-thiazole?
The IUPAC name of 4-methyl-2-[2-(1-methylindol-3-yl)ethyl]-5-pyrrolidin-1-yl-1,3-thiazole (CID 169260109) is 4-methyl-2-[2-(1-methylindol-3-yl)ethyl]-5-pyrrolidin-1-yl-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[2-(1-methylindol-3-yl)ethyl]-5-pyrrolidin-1-yl-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[2-(1-methylindol-3-yl)ethyl]-5-pyrrolidin-1-yl-1,3-thiazole is Cc1nc(CCc2cn(C)c3ccccc23)sc1N1CCCC1.
What is the InChIKey of 4-methyl-2-[2-(1-methylindol-3-yl)ethyl]-5-pyrrolidin-1-yl-1,3-thiazole?
The InChIKey is RLJZFZIPBLYPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3S/c1-14-19(22-11-5-6-12-22)23-18(20-14)10-9-15-13-21(2)17-8-4-3-7-16(15)17/h3-4,7-8,13H,5-6,9-12H2,1-2H3.
What are the key properties of 4-methyl-2-[2-(1-methylindol-3-yl)ethyl]-5-pyrrolidin-1-yl-1,3-thiazole?
4-methyl-2-[2-(1-methylindol-3-yl)ethyl]-5-pyrrolidin-1-yl-1,3-thiazole has a molecular weight of 325.48 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(1-methylindol-3-yl)ethyl]-5-pyrrolidin-1-yl-1,3-thiazole is sourced from PubChem (CID 169260109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).