N,2-dimethyl-6-[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine

C16H22N4S — CID 124958456

IUPACN,2-dimethyl-6-[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine
SMILESCNc1cc(C)nc([C@@H]2CCN(Cc3scnc3C)C2)c1
InChIInChI=1S/C16H22N4S/c1-11-6-14(17-3)7-15(19-11)13-4-5-20(8-13)9-16-12(2)18-10-21-16/h6-7,10,13H,4-5,8-9H2,1-3H3,(H,17,19)/t13-/m1/s1
InChIKeyGGKGVTLINALTOD-CYBMUJFWSA-N
MW302.45 g/mol
LogP3.19
Rot. Bonds4

About N,2-dimethyl-6-[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine

N,2-dimethyl-6-[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine (PubChem CID 124958456) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is N,2-dimethyl-6-[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-6-[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine
PubChem CID124958456
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC NameN,2-dimethyl-6-[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine
SMILESCNc1cc(C)nc([C@@H]2CCN(Cc3scnc3C)C2)c1
InChIInChI=1S/C16H22N4S/c1-11-6-14(17-3)7-15(19-11)13-4-5-20(8-13)9-16-12(2)18-10-21-16/h6-7,10,13H,4-5,8-9H2,1-3H3,(H,17,19)/t13-/m1/s1
InChIKeyGGKGVTLINALTOD-CYBMUJFWSA-N
XLogP3.19
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-dimethyl-6-[(3S)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine
CID 125020310
N,2-dimethyl-6-[(3R)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine
CID 125020309
2-(2,6-dimethylpyrimidin-4-yl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 110115918
3-[[3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 110105906
2-[2-[[(3R)-3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 125003897
N-methyl-6-[(2R)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]pyridin-2-amine
CID 124957898
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylpyrrolidin-3-amine
CID 63280699
4-methyl-5-[[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 124947493
2-cyclopentyl-N,6-dimethylpyridin-4-amine;dihydrochloride
CID 172850229
5-[[4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 53192329
6-methyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]pyridin-2-amine
CID 84594186
4-methyl-5-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 155986862

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine?
The IUPAC name of N,2-dimethyl-6-[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine (CID 124958456) is N,2-dimethyl-6-[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine.
What is the SMILES notation for N,2-dimethyl-6-[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine?
The canonical SMILES for N,2-dimethyl-6-[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine is CNc1cc(C)nc([C@@H]2CCN(Cc3scnc3C)C2)c1.
What is the InChIKey of N,2-dimethyl-6-[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine?
The InChIKey is GGKGVTLINALTOD-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N4S/c1-11-6-14(17-3)7-15(19-11)13-4-5-20(8-13)9-16-12(2)18-10-21-16/h6-7,10,13H,4-5,8-9H2,1-3H3,(H,17,19)/t13-/m1/s1.
What are the key properties of N,2-dimethyl-6-[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine?
N,2-dimethyl-6-[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine has a molecular weight of 302.45 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine is sourced from PubChem (CID 124958456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).