N-(2-hydroxypropyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide

C15H18N2O4S — CID 78855067

IUPACN-(2-hydroxypropyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOc1cc(C(=O)NCC(C)O)ccc1OCc1cscn1
InChIInChI=1S/C15H18N2O4S/c1-10(18)6-16-15(19)11-3-4-13(14(5-11)20-2)21-7-12-8-22-9-17-12/h3-5,8-10,18H,6-7H2,1-2H3,(H,16,19)
InChIKeyJHGCOPYNHUYUQF-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.84
Rot. Bonds7

About N-(2-hydroxypropyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide

N-(2-hydroxypropyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 78855067) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID78855067
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC NameN-(2-hydroxypropyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOc1cc(C(=O)NCC(C)O)ccc1OCc1cscn1
InChIInChI=1S/C15H18N2O4S/c1-10(18)6-16-15(19)11-3-4-13(14(5-11)20-2)21-7-12-8-22-9-17-12/h3-5,8-10,18H,6-7H2,1-2H3,(H,16,19)
InChIKeyJHGCOPYNHUYUQF-UHFFFAOYSA-N
XLogP1.84
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl N-[1-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-4-methylpentan-2-yl]carbamate
CID 55654844
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55583482
2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-3-methylpentanoic acid
CID 119211791
4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 43391198
2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]butanoic acid
CID 119223643
N-[2-(3,4-diethoxyphenyl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46586430
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 120946649
N-(4-iodophenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55577321
N-(2,4-dimethoxyphenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46577798
4-butoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 78800293
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55658657
1-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol
CID 43503800

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-(2-hydroxypropyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide (CID 78855067) is N-(2-hydroxypropyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-(2-hydroxypropyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-(2-hydroxypropyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide is COc1cc(C(=O)NCC(C)O)ccc1OCc1cscn1.
What is the InChIKey of N-(2-hydroxypropyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is JHGCOPYNHUYUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-10(18)6-16-15(19)11-3-4-13(14(5-11)20-2)21-7-12-8-22-9-17-12/h3-5,8-10,18H,6-7H2,1-2H3,(H,16,19).
What are the key properties of N-(2-hydroxypropyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
N-(2-hydroxypropyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 322.39 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 78855067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).