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

C26H23N3OS — CID 3443960

IUPAC4-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2csc(N3CCCC3)n2)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H23N3OS/c30-25(21-13-11-20(12-14-21)19-7-2-1-3-8-19)27-23-10-6-9-22(17-23)24-18-31-26(28-24)29-15-4-5-16-29/h1-3,6-14,17-18H,4-5,15-16H2,(H,27,30)
InChIKeyUSQFTGAMOFZOTH-UHFFFAOYSA-N
MW425.56 g/mol
LogP6.33
Rot. Bonds5

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

4-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide (PubChem CID 3443960) has the molecular formula C26H23N3OS and a molecular weight of 425.56 g/mol. Its IUPAC name is 4-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide
PubChem CID3443960
Molecular FormulaC26H23N3OS
Molecular Weight425.56 g/mol
Exact Mass425.16
IUPAC Name4-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2csc(N3CCCC3)n2)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H23N3OS/c30-25(21-13-11-20(12-14-21)19-7-2-1-3-8-19)27-23-10-6-9-22(17-23)24-18-31-26(28-24)29-15-4-5-16-29/h1-3,6-14,17-18H,4-5,15-16H2,(H,27,30)
InChIKeyUSQFTGAMOFZOTH-UHFFFAOYSA-N
XLogP6.33
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.56
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide
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(2R)-2-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
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2-methoxy-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 810541
3-methyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
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4-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
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CID 4267628
4-tert-butyl-N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3688158
4-(2-piperidin-1-yl-1,3-thiazol-4-yl)benzoic acid
CID 58256899
N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]nonanamide
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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide?
The IUPAC name of 4-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide (CID 3443960) is 4-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 4-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide?
The canonical SMILES for 4-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide is O=C(Nc1cccc(-c2csc(N3CCCC3)n2)c1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide?
The InChIKey is USQFTGAMOFZOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3OS/c30-25(21-13-11-20(12-14-21)19-7-2-1-3-8-19)27-23-10-6-9-22(17-23)24-18-31-26(28-24)29-15-4-5-16-29/h1-3,6-14,17-18H,4-5,15-16H2,(H,27,30).
What are the key properties of 4-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide?
4-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide has a molecular weight of 425.56 g/mol, XLogP of 6.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 3443960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).