N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide

C17H21N3O4S — CID 120946649

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOc1cc(C(=O)NCC2CNCC2O)ccc1OCc1cscn1
InChIInChI=1S/C17H21N3O4S/c1-23-16-4-11(17(22)19-6-12-5-18-7-14(12)21)2-3-15(16)24-8-13-9-25-10-20-13/h2-4,9-10,12,14,18,21H,5-8H2,1H3,(H,19,22)
InChIKeyHDORJULCSHHUKN-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.04
Rot. Bonds7

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide

N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 120946649) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID120946649
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOc1cc(C(=O)NCC2CNCC2O)ccc1OCc1cscn1
InChIInChI=1S/C17H21N3O4S/c1-23-16-4-11(17(22)19-6-12-5-18-7-14(12)21)2-3-15(16)24-8-13-9-25-10-20-13/h2-4,9-10,12,14,18,21H,5-8H2,1H3,(H,19,22)
InChIKeyHDORJULCSHHUKN-UHFFFAOYSA-N
XLogP1.04
TPSA92.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide with MolForge

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Related Compounds

3-methoxy-N-(piperidin-3-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride
CID 119464467
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 120946723
N-(2-hydroxypropyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78855067
3-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methoxybenzamide;hydrochloride
CID 120944009
N-(4-iodophenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55577321
3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46402452
N-(2,4-dimethoxyphenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46577798
3-methoxy-N-(1-methylpiperidin-4-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55824873
N-[2-(aminomethyl)cyclopentyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 119605114
N-[2-(3,4-diethoxyphenyl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46586430
3-methoxy-N-methyl-N-piperidin-4-yl-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride
CID 119444457
2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]butanoic acid
CID 119223643

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide (CID 120946649) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide is COc1cc(C(=O)NCC2CNCC2O)ccc1OCc1cscn1.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is HDORJULCSHHUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-23-16-4-11(17(22)19-6-12-5-18-7-14(12)21)2-3-15(16)24-8-13-9-25-10-20-13/h2-4,9-10,12,14,18,21H,5-8H2,1H3,(H,19,22).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 363.44 g/mol, XLogP of 1.04, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 120946649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).