1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethanone

C19H25N3O2S — CID 126789743

IUPAC1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethanone
SMILESCOc1ccc(C2CCCN2C(=O)CNC(C)(C)c2nccs2)cc1
InChIInChI=1S/C19H25N3O2S/c1-19(2,18-20-10-12-25-18)21-13-17(23)22-11-4-5-16(22)14-6-8-15(24-3)9-7-14/h6-10,12,16,21H,4-5,11,13H2,1-3H3
InChIKeyUBUJFBDBNJZJDQ-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.34
Rot. Bonds6

About 1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethanone

1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethanone (PubChem CID 126789743) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethanone.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethanone
PubChem CID126789743
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethanone
SMILESCOc1ccc(C2CCCN2C(=O)CNC(C)(C)c2nccs2)cc1
InChIInChI=1S/C19H25N3O2S/c1-19(2,18-20-10-12-25-18)21-13-17(23)22-11-4-5-16(22)14-6-8-15(24-3)9-7-14/h6-10,12,16,21H,4-5,11,13H2,1-3H3
InChIKeyUBUJFBDBNJZJDQ-UHFFFAOYSA-N
XLogP3.34
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-anilino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 119687297
5-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoic acid
CID 124687464
5-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-5-oxopentanoic acid
CID 60953629
2-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]acetic acid
CID 61327670
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CID 78898373
1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 51075790
1-cyclohexyl-3-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]urea
CID 60541219
1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 94457866
4-(difluoromethoxy)-N-[2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 25479486
1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 46975041
1-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 51600193
1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-4-phenylbutane-1,4-dione
CID 51254000

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethanone?
The IUPAC name of 1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethanone (CID 126789743) is 1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethanone.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethanone?
The canonical SMILES for 1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethanone is COc1ccc(C2CCCN2C(=O)CNC(C)(C)c2nccs2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethanone?
The InChIKey is UBUJFBDBNJZJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-19(2,18-20-10-12-25-18)21-13-17(23)22-11-4-5-16(22)14-6-8-15(24-3)9-7-14/h6-10,12,16,21H,4-5,11,13H2,1-3H3.
What are the key properties of 1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethanone?
1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethanone has a molecular weight of 359.50 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethanone is sourced from PubChem (CID 126789743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).