N-[2-methyl-6-[1-(quinolin-5-ylmethyl)pyrrolidin-3-yl]-4-pyridinyl]-1,3-thiazol-2-amine

C23H23N5S — CID 110093562

IUPACN-[2-methyl-6-[1-(quinolin-5-ylmethyl)pyrrolidin-3-yl]-4-pyridinyl]-1,3-thiazol-2-amine
SMILESCc1cc(Nc2nccs2)cc(C2CCN(Cc3cccc4ncccc34)C2)n1
InChIInChI=1S/C23H23N5S/c1-16-12-19(27-23-25-9-11-29-23)13-22(26-16)18-7-10-28(15-18)14-17-4-2-6-21-20(17)5-3-8-24-21/h2-6,8-9,11-13,18H,7,10,14-15H2,1H3,(H,25,26,27)
InChIKeyKBIRNWVUMIDUSV-UHFFFAOYSA-N
MW401.54 g/mol
LogP5.13
Rot. Bonds5

About N-[2-methyl-6-[1-(quinolin-5-ylmethyl)pyrrolidin-3-yl]-4-pyridinyl]-1,3-thiazol-2-amine

N-[2-methyl-6-[1-(quinolin-5-ylmethyl)pyrrolidin-3-yl]-4-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 110093562) has the molecular formula C23H23N5S and a molecular weight of 401.54 g/mol. Its IUPAC name is N-[2-methyl-6-[1-(quinolin-5-ylmethyl)pyrrolidin-3-yl]-4-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-methyl-6-[1-(quinolin-5-ylmethyl)pyrrolidin-3-yl]-4-pyridinyl]-1,3-thiazol-2-amine
PubChem CID110093562
Molecular FormulaC23H23N5S
Molecular Weight401.54 g/mol
Exact Mass401.17
IUPAC NameN-[2-methyl-6-[1-(quinolin-5-ylmethyl)pyrrolidin-3-yl]-4-pyridinyl]-1,3-thiazol-2-amine
SMILESCc1cc(Nc2nccs2)cc(C2CCN(Cc3cccc4ncccc34)C2)n1
InChIInChI=1S/C23H23N5S/c1-16-12-19(27-23-25-9-11-29-23)13-22(26-16)18-7-10-28(15-18)14-17-4-2-6-21-20(17)5-3-8-24-21/h2-6,8-9,11-13,18H,7,10,14-15H2,1H3,(H,25,26,27)
InChIKeyKBIRNWVUMIDUSV-UHFFFAOYSA-N
XLogP5.13
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.54
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-6-[1-(quinolin-5-ylmethyl)pyrrolidin-3-yl]-4-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[2-methyl-6-[1-(quinolin-5-ylmethyl)pyrrolidin-3-yl]-4-pyridinyl]-1,3-thiazol-2-amine (CID 110093562) is N-[2-methyl-6-[1-(quinolin-5-ylmethyl)pyrrolidin-3-yl]-4-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-methyl-6-[1-(quinolin-5-ylmethyl)pyrrolidin-3-yl]-4-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-methyl-6-[1-(quinolin-5-ylmethyl)pyrrolidin-3-yl]-4-pyridinyl]-1,3-thiazol-2-amine is Cc1cc(Nc2nccs2)cc(C2CCN(Cc3cccc4ncccc34)C2)n1.
What is the InChIKey of N-[2-methyl-6-[1-(quinolin-5-ylmethyl)pyrrolidin-3-yl]-4-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is KBIRNWVUMIDUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5S/c1-16-12-19(27-23-25-9-11-29-23)13-22(26-16)18-7-10-28(15-18)14-17-4-2-6-21-20(17)5-3-8-24-21/h2-6,8-9,11-13,18H,7,10,14-15H2,1H3,(H,25,26,27).
What are the key properties of N-[2-methyl-6-[1-(quinolin-5-ylmethyl)pyrrolidin-3-yl]-4-pyridinyl]-1,3-thiazol-2-amine?
N-[2-methyl-6-[1-(quinolin-5-ylmethyl)pyrrolidin-3-yl]-4-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 401.54 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-6-[1-(quinolin-5-ylmethyl)pyrrolidin-3-yl]-4-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 110093562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).