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

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

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Related Compounds

N-[2-[1-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidin-3-yl]-6-methyl-4-pyridinyl]-1,3-thiazol-2-amine
CID 110093545
1-[3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 110093556
[(2S)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-quinolin-5-ylmethanone
CID 95832670
2-[(3S)-1-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]-N-(4-methoxyphenyl)-6-methylpyridin-4-amine
CID 125011716
(1-methylpyrazol-3-yl)-[(3S)-3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 124941665
5-methyl-N-[6-[4-(quinolin-5-ylmethyl)morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine
CID 127249866
[3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110093546
N-[2-methyl-6-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 124987053
2-[2-[[(3R)-3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 125003897
N,2-dimethyl-6-[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine
CID 124958456
(3R,4R)-4-(4-methylpiperazin-1-yl)-1-(quinolin-5-ylmethyl)piperidin-3-ol
CID 45252313
N,N-dimethyl-2-pyridin-4-yl-6-[(3S)-1-(quinolin-5-ylmethyl)piperidin-3-yl]pyrimidin-4-amine
CID 92607008

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).