N-[6-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine

C21H24N4OS — CID 95835668

IUPACN-[6-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCOc1cc(C)ccc1CN1CCC[C@@H]1c1cccc(Nc2nccs2)n1
InChIInChI=1S/C21H24N4OS/c1-15-8-9-16(19(13-15)26-2)14-25-11-4-6-18(25)17-5-3-7-20(23-17)24-21-22-10-12-27-21/h3,5,7-10,12-13,18H,4,6,11,14H2,1-2H3,(H,22,23,24)/t18-/m1/s1
InChIKeyIVISQLDUXOXMJM-GOSISDBHSA-N
MW380.52 g/mol
LogP4.94
Rot. Bonds6

About N-[6-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine

N-[6-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 95835668) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is N-[6-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine
PubChem CID95835668
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC NameN-[6-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCOc1cc(C)ccc1CN1CCC[C@@H]1c1cccc(Nc2nccs2)n1
InChIInChI=1S/C21H24N4OS/c1-15-8-9-16(19(13-15)26-2)14-25-11-4-6-18(25)17-5-3-7-20(23-17)24-21-22-10-12-27-21/h3,5,7-10,12-13,18H,4,6,11,14H2,1-2H3,(H,22,23,24)/t18-/m1/s1
InChIKeyIVISQLDUXOXMJM-GOSISDBHSA-N
XLogP4.94
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

5-ethyl-N-[6-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine
CID 95836335
N-[2-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine
CID 95832802
N-[6-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110093978
N-[2-methyl-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 110255606
6-[1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]-N-pyridin-2-ylpyridin-2-amine
CID 110265127
2-amino-1-[2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone;dihydrochloride
CID 171687472
N-[6-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
CID 175659249
2-(dimethylamino)-1-[(2R)-2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95835392
N-[6-[(2S)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 124977478
6-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylpyrazin-2-amine
CID 124951210
6-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylpyrazin-2-amine
CID 124951209
4-[(2S)-1-[(2-methoxy-4-methylphenyl)methyl]piperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136860729

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[6-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine (CID 95835668) is N-[6-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine is COc1cc(C)ccc1CN1CCC[C@@H]1c1cccc(Nc2nccs2)n1.
What is the InChIKey of N-[6-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is IVISQLDUXOXMJM-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-15-8-9-16(19(13-15)26-2)14-25-11-4-6-18(25)17-5-3-7-20(23-17)24-21-22-10-12-27-21/h3,5,7-10,12-13,18H,4,6,11,14H2,1-2H3,(H,22,23,24)/t18-/m1/s1.
What are the key properties of N-[6-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine?
N-[6-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 380.52 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 95835668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).