N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2,3-dimethoxybenzamide

C22H21FN4O3S — CID 18589819

IUPACN-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)N(CCCn2ccnc2)c2nc3c(F)cccc3s2)c1OC
InChIInChI=1S/C22H21FN4O3S/c1-29-17-8-3-6-15(20(17)30-2)21(28)27(12-5-11-26-13-10-24-14-26)22-25-19-16(23)7-4-9-18(19)31-22/h3-4,6-10,13-14H,5,11-12H2,1-2H3
InChIKeyDEYZGXVAWASNBS-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.39
Rot. Bonds8

About N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2,3-dimethoxybenzamide

N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2,3-dimethoxybenzamide (PubChem CID 18589819) has the molecular formula C22H21FN4O3S and a molecular weight of 440.50 g/mol. Its IUPAC name is N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2,3-dimethoxybenzamide
PubChem CID18589819
Molecular FormulaC22H21FN4O3S
Molecular Weight440.50 g/mol
Exact Mass440.13
IUPAC NameN-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)N(CCCn2ccnc2)c2nc3c(F)cccc3s2)c1OC
InChIInChI=1S/C22H21FN4O3S/c1-29-17-8-3-6-15(20(17)30-2)21(28)27(12-5-11-26-13-10-24-14-26)22-25-19-16(23)7-4-9-18(19)31-22/h3-4,6-10,13-14H,5,11-12H2,1-2H3
InChIKeyDEYZGXVAWASNBS-UHFFFAOYSA-N
XLogP4.39
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-fluorobenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide
CID 16030762
3-(7-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-8-methoxy-2H-chromen-2-one
CID 1346900
N-(1,3-benzothiazol-2-yl)-2-methoxy-N-[2-(1-methyl-2-pyrrolidinyl)ethyl]benzamide
CID 3229425
8-Ethoxy-3-imidazo[2,1-b][1,3]benzothiazol-2-ylchromen-2-one
CID 4302147
2,3-dimethoxy-N-(3-{3-methylimidazo[2,1-b][1,3]thiazol-6-yl}phenyl)benzamide
CID 7151271
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-7-carboxamide
CID 16011222
N-ethyl-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 16018508
2-(4-fluorophenyl)-N-(2-methoxybenzyl)imidazo[2,1-b][1,3]benzothiazole-7-carboxamide
CID 16018574
2,3-dimethoxy-N-(4-methoxy-7-methylbenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 16032549
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,3-dimethoxybenzamide
CID 7151232
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-7-carboxamide
CID 16018486
N-(2-fluorobenzyl)-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-7-carboxamide
CID 16018514

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2,3-dimethoxybenzamide?
The IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2,3-dimethoxybenzamide (CID 18589819) is N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2,3-dimethoxybenzamide.
What is the SMILES notation for N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2,3-dimethoxybenzamide?
The canonical SMILES for N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2,3-dimethoxybenzamide is COc1cccc(C(=O)N(CCCn2ccnc2)c2nc3c(F)cccc3s2)c1OC.
What is the InChIKey of N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2,3-dimethoxybenzamide?
The InChIKey is DEYZGXVAWASNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O3S/c1-29-17-8-3-6-15(20(17)30-2)21(28)27(12-5-11-26-13-10-24-14-26)22-25-19-16(23)7-4-9-18(19)31-22/h3-4,6-10,13-14H,5,11-12H2,1-2H3.
What are the key properties of N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2,3-dimethoxybenzamide?
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2,3-dimethoxybenzamide has a molecular weight of 440.50 g/mol, XLogP of 4.39, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2,3-dimethoxybenzamide is sourced from PubChem (CID 18589819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).