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

C24H27N3O3S — CID 91958371

IUPACN-(3-hydroxy-3-phenylpropyl)-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide
SMILESCOc1ccc(C(=O)NCCC(O)c2ccccc2)cc1-c1csc(N2CCCC2)n1
InChIInChI=1S/C24H27N3O3S/c1-30-22-10-9-18(23(29)25-12-11-21(28)17-7-3-2-4-8-17)15-19(22)20-16-31-24(26-20)27-13-5-6-14-27/h2-4,7-10,15-16,21,28H,5-6,11-14H2,1H3,(H,25,29)
InChIKeyPGJZAMAWAQUYKT-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.27
Rot. Bonds8

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

N-(3-hydroxy-3-phenylpropyl)-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide (PubChem CID 91958371) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-(3-hydroxy-3-phenylpropyl)-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-phenylpropyl)-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide
PubChem CID91958371
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC NameN-(3-hydroxy-3-phenylpropyl)-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide
SMILESCOc1ccc(C(=O)NCCC(O)c2ccccc2)cc1-c1csc(N2CCCC2)n1
InChIInChI=1S/C24H27N3O3S/c1-30-22-10-9-18(23(29)25-12-11-21(28)17-7-3-2-4-8-17)15-19(22)20-16-31-24(26-20)27-13-5-6-14-27/h2-4,7-10,15-16,21,28H,5-6,11-14H2,1H3,(H,25,29)
InChIKeyPGJZAMAWAQUYKT-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(furan-2-yl)-3-hydroxypropyl]-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide
CID 91958372
N-[3-(furan-2-yl)-3-hydroxypropyl]-4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide
CID 91958345
N-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide
CID 91958373
3-methoxy-4-phenylmethoxy-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 86953668
N-[5-(dimethylamino)pentan-2-yl]-4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide
CID 91958362
N-(3-hydroxy-3-phenylpropyl)-3-methoxybenzamide
CID 90499517
N-[[4-methoxy-3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]methyl]-1-naphthalen-1-ylethanamine
CID 22391462
3,4-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 110398045
1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907682
4-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylbenzamide
CID 49374963
N-[3-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 46589382
3-amino-N-(2-hydroxy-2-phenylethyl)-4-methoxybenzamide
CID 43498531

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-phenylpropyl)-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide?
The IUPAC name of N-(3-hydroxy-3-phenylpropyl)-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide (CID 91958371) is N-(3-hydroxy-3-phenylpropyl)-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide.
What is the SMILES notation for N-(3-hydroxy-3-phenylpropyl)-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide?
The canonical SMILES for N-(3-hydroxy-3-phenylpropyl)-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide is COc1ccc(C(=O)NCCC(O)c2ccccc2)cc1-c1csc(N2CCCC2)n1.
What is the InChIKey of N-(3-hydroxy-3-phenylpropyl)-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide?
The InChIKey is PGJZAMAWAQUYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-30-22-10-9-18(23(29)25-12-11-21(28)17-7-3-2-4-8-17)15-19(22)20-16-31-24(26-20)27-13-5-6-14-27/h2-4,7-10,15-16,21,28H,5-6,11-14H2,1H3,(H,25,29).
What are the key properties of N-(3-hydroxy-3-phenylpropyl)-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide?
N-(3-hydroxy-3-phenylpropyl)-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide has a molecular weight of 437.57 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-phenylpropyl)-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 91958371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).