1-(3,5-dimethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine

C17H23N3O2S — CID 71980341

IUPAC1-(3,5-dimethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCOc1cc(OC)cc(N2CCC(NCc3nc(C)cs3)C2)c1
InChIInChI=1S/C17H23N3O2S/c1-12-11-23-17(19-12)9-18-13-4-5-20(10-13)14-6-15(21-2)8-16(7-14)22-3/h6-8,11,13,18H,4-5,9-10H2,1-3H3
InChIKeyCBGJWLNKXGKFNI-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.84
Rot. Bonds6

About 1-(3,5-dimethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine

1-(3,5-dimethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine (PubChem CID 71980341) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine
PubChem CID71980341
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name1-(3,5-dimethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCOc1cc(OC)cc(N2CCC(NCc3nc(C)cs3)C2)c1
InChIInChI=1S/C17H23N3O2S/c1-12-11-23-17(19-12)9-18-13-4-5-20(10-13)14-6-15(21-2)8-16(7-14)22-3/h6-8,11,13,18H,4-5,9-10H2,1-3H3
InChIKeyCBGJWLNKXGKFNI-UHFFFAOYSA-N
XLogP2.84
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-3-ethyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
CID 111925470
3-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine
CID 104587961
1-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]piperidin-2-one
CID 78997796
1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111925418
1-(3-methylbut-2-enyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 54912882
1-(3,5-dimethoxyphenyl)-N-propylpiperidin-4-amine
CID 43315050
3-(2-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine
CID 61042870
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133357134
4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine
CID 115777095
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]benzamide
CID 71863722
1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-3-ethyl-2-methylguanidine;hydroiodide
CID 111924552
1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]guanidine;hydroiodide
CID 111925448

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine (CID 71980341) is 1-(3,5-dimethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine is COc1cc(OC)cc(N2CCC(NCc3nc(C)cs3)C2)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine?
The InChIKey is CBGJWLNKXGKFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-12-11-23-17(19-12)9-18-13-4-5-20(10-13)14-6-15(21-2)8-16(7-14)22-3/h6-8,11,13,18H,4-5,9-10H2,1-3H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine?
1-(3,5-dimethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine has a molecular weight of 333.46 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 71980341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).