N-[3-(furan-2-yl)-3-hydroxypropyl]-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide

C22H25N3O4S — CID 91958372

IUPACN-[3-(furan-2-yl)-3-hydroxypropyl]-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide
SMILESCOc1ccc(C(=O)NCCC(O)c2ccco2)cc1-c1csc(N2CCCC2)n1
InChIInChI=1S/C22H25N3O4S/c1-28-19-7-6-15(21(27)23-9-8-18(26)20-5-4-12-29-20)13-16(19)17-14-30-22(24-17)25-10-2-3-11-25/h4-7,12-14,18,26H,2-3,8-11H2,1H3,(H,23,27)
InChIKeyZNMDSMSAPVQJAC-UHFFFAOYSA-N
MW427.53 g/mol
LogP3.87
Rot. Bonds8

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

N-[3-(furan-2-yl)-3-hydroxypropyl]-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide (PubChem CID 91958372) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-3-hydroxypropyl]-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)-3-hydroxypropyl]-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide
PubChem CID91958372
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC NameN-[3-(furan-2-yl)-3-hydroxypropyl]-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide
SMILESCOc1ccc(C(=O)NCCC(O)c2ccco2)cc1-c1csc(N2CCCC2)n1
InChIInChI=1S/C22H25N3O4S/c1-28-19-7-6-15(21(27)23-9-8-18(26)20-5-4-12-29-20)13-16(19)17-14-30-22(24-17)25-10-2-3-11-25/h4-7,12-14,18,26H,2-3,8-11H2,1H3,(H,23,27)
InChIKeyZNMDSMSAPVQJAC-UHFFFAOYSA-N
XLogP3.87
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(furan-2-yl)-3-hydroxypropyl]-4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide
CID 91958345
N-(3-hydroxy-3-phenylpropyl)-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide
CID 91958371
N-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide
CID 91958373
N-[5-(dimethylamino)pentan-2-yl]-4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide
CID 91958362
3-methoxy-4-phenylmethoxy-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 86953668
N-[2-(furan-2-yl)-2-hydroxyethyl]-3,4-dimethoxybenzamide
CID 78867802
3,4-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 110398045
N-[3-(furan-2-yl)-3-hydroxypropyl]benzamide
CID 90523674
(4-hydroxypiperidin-1-yl)-[4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]methanone
CID 91958350
N-[[4-methoxy-3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]methyl]-1-naphthalen-1-ylethanamine
CID 22391462
N'-(2,5-dimethoxyphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 90523941
N-[3-(furan-2-yl)-3-hydroxypropyl]-4-phenylbenzamide
CID 71787703

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-3-hydroxypropyl]-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide?
The IUPAC name of N-[3-(furan-2-yl)-3-hydroxypropyl]-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide (CID 91958372) is N-[3-(furan-2-yl)-3-hydroxypropyl]-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide.
What is the SMILES notation for N-[3-(furan-2-yl)-3-hydroxypropyl]-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide?
The canonical SMILES for N-[3-(furan-2-yl)-3-hydroxypropyl]-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide is COc1ccc(C(=O)NCCC(O)c2ccco2)cc1-c1csc(N2CCCC2)n1.
What is the InChIKey of N-[3-(furan-2-yl)-3-hydroxypropyl]-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide?
The InChIKey is ZNMDSMSAPVQJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-28-19-7-6-15(21(27)23-9-8-18(26)20-5-4-12-29-20)13-16(19)17-14-30-22(24-17)25-10-2-3-11-25/h4-7,12-14,18,26H,2-3,8-11H2,1H3,(H,23,27).
What are the key properties of N-[3-(furan-2-yl)-3-hydroxypropyl]-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide?
N-[3-(furan-2-yl)-3-hydroxypropyl]-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide has a molecular weight of 427.53 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)-3-hydroxypropyl]-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 91958372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).