3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide

C16H19N3O3S — CID 121144613

IUPAC3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCN(c3nccs3)C2)cc1OC
InChIInChI=1S/C16H19N3O3S/c1-21-13-4-3-11(9-14(13)22-2)15(20)18-12-5-7-19(10-12)16-17-6-8-23-16/h3-4,6,8-9,12H,5,7,10H2,1-2H3,(H,18,20)
InChIKeyWLZKWFMTTYYIRU-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.17
Rot. Bonds5

About 3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide

3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide (PubChem CID 121144613) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
PubChem CID121144613
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCN(c3nccs3)C2)cc1OC
InChIInChI=1S/C16H19N3O3S/c1-21-13-4-3-11(9-14(13)22-2)15(20)18-12-5-7-19(10-12)16-17-6-8-23-16/h3-4,6,8-9,12H,5,7,10H2,1-2H3,(H,18,20)
InChIKeyWLZKWFMTTYYIRU-UHFFFAOYSA-N
XLogP2.17
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597214
4-chloro-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144583
4-propan-2-yloxy-N-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 99875296
2-methyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-benzothiazole-6-carboxamide
CID 99875383
3,4-dimethoxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 110737599
3-(4-fluorophenoxy)-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144700
2,3-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 71810013
2-phenoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144744
4-[(3-methylphenyl)sulfonylamino]-N-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 99875343
N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]furan-2-carboxamide
CID 121144564
4-butoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597226
4-phenyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597412

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide (CID 121144613) is 3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide is COc1ccc(C(=O)NC2CCN(c3nccs3)C2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide?
The InChIKey is WLZKWFMTTYYIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-21-13-4-3-11(9-14(13)22-2)15(20)18-12-5-7-19(10-12)16-17-6-8-23-16/h3-4,6,8-9,12H,5,7,10H2,1-2H3,(H,18,20).
What are the key properties of 3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide?
3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide has a molecular weight of 333.41 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 121144613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).