N,N-dimethyl-1-[4-[5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine

C24H25N5OS — CID 59643582

IUPACN,N-dimethyl-1-[4-[5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine
SMILESCc1ccc(-c2nc(-c3nnc(-c4ccc(N5CCC(N(C)C)C5)cc4)o3)cs2)cc1
InChIInChI=1S/C24H25N5OS/c1-16-4-6-18(7-5-16)24-25-21(15-31-24)23-27-26-22(30-23)17-8-10-19(11-9-17)29-13-12-20(14-29)28(2)3/h4-11,15,20H,12-14H2,1-3H3
InChIKeyHZTXAZNKTCNHEM-UHFFFAOYSA-N
MW431.57 g/mol
LogP4.98
Rot. Bonds5

About N,N-dimethyl-1-[4-[5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine

N,N-dimethyl-1-[4-[5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine (PubChem CID 59643582) has the molecular formula C24H25N5OS and a molecular weight of 431.57 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-[5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-[5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine
PubChem CID59643582
Molecular FormulaC24H25N5OS
Molecular Weight431.57 g/mol
Exact Mass431.18
IUPAC NameN,N-dimethyl-1-[4-[5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine
SMILESCc1ccc(-c2nc(-c3nnc(-c4ccc(N5CCC(N(C)C)C5)cc4)o3)cs2)cc1
InChIInChI=1S/C24H25N5OS/c1-16-4-6-18(7-5-16)24-25-21(15-31-24)23-27-26-22(30-23)17-8-10-19(11-9-17)29-13-12-20(14-29)28(2)3/h4-11,15,20H,12-14H2,1-3H3
InChIKeyHZTXAZNKTCNHEM-UHFFFAOYSA-N
XLogP4.98
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.57
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

SB-674042
CID 10204153
(3H)SB-674042
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CID 46202519
2-[[2-(1,3-Benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 4788904
2-(4-Methylthieno[3,2-b]pyrrol-5-yl)-5-phenyl-1,3,4-oxadiazole
CID 156020935
2-Phenyl-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1,3,4-oxadiazole
CID 2824506
2-[1-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 16296170
C24H21FN4O2S
CID 137699171
[5-(3-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl]methanone
CID 10275565
[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(fluoromethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 56967677
[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(1-fluoroethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 56968039
[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-[(2R,4S)-4-fluoro-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 57512969

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-[5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-1-[4-[5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine (CID 59643582) is N,N-dimethyl-1-[4-[5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-[4-[5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-[4-[5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine is Cc1ccc(-c2nc(-c3nnc(-c4ccc(N5CCC(N(C)C)C5)cc4)o3)cs2)cc1.
What is the InChIKey of N,N-dimethyl-1-[4-[5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine?
The InChIKey is HZTXAZNKTCNHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5OS/c1-16-4-6-18(7-5-16)24-25-21(15-31-24)23-27-26-22(30-23)17-8-10-19(11-9-17)29-13-12-20(14-29)28(2)3/h4-11,15,20H,12-14H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[4-[5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine?
N,N-dimethyl-1-[4-[5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine has a molecular weight of 431.57 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-[5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine is sourced from PubChem (CID 59643582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).