N-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide

C24H27N3O3S — CID 91958373

IUPACN-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide
SMILESCOc1ccc(C(=O)NC(CO)Cc2ccccc2)cc1-c1csc(N2CCCC2)n1
InChIInChI=1S/C24H27N3O3S/c1-30-22-10-9-18(23(29)25-19(15-28)13-17-7-3-2-4-8-17)14-20(22)21-16-31-24(26-21)27-11-5-6-12-27/h2-4,7-10,14,16,19,28H,5-6,11-13,15H2,1H3,(H,25,29)
InChIKeyGROQEUHSMYJNPY-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.75
Rot. Bonds8

About N-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide

N-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide (PubChem CID 91958373) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide
PubChem CID91958373
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC NameN-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide
SMILESCOc1ccc(C(=O)NC(CO)Cc2ccccc2)cc1-c1csc(N2CCCC2)n1
InChIInChI=1S/C24H27N3O3S/c1-30-22-10-9-18(23(29)25-19(15-28)13-17-7-3-2-4-8-17)14-20(22)21-16-31-24(26-21)27-11-5-6-12-27/h2-4,7-10,14,16,19,28H,5-6,11-13,15H2,1H3,(H,25,29)
InChIKeyGROQEUHSMYJNPY-UHFFFAOYSA-N
XLogP3.75
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide?
The IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide (CID 91958373) is N-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide.
What is the SMILES notation for N-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide?
The canonical SMILES for N-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide is COc1ccc(C(=O)NC(CO)Cc2ccccc2)cc1-c1csc(N2CCCC2)n1.
What is the InChIKey of N-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide?
The InChIKey is GROQEUHSMYJNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-30-22-10-9-18(23(29)25-19(15-28)13-17-7-3-2-4-8-17)14-20(22)21-16-31-24(26-21)27-11-5-6-12-27/h2-4,7-10,14,16,19,28H,5-6,11-13,15H2,1H3,(H,25,29).
What are the key properties of N-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide?
N-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide has a molecular weight of 437.57 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 91958373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).