6-(3-fluoro-4-methoxyphenyl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

C19H21FN4O3S — CID 56754089

IUPAC6-(3-fluoro-4-methoxyphenyl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCOc1ccc(-c2cn3c(C(=O)NC[C@@H]4CCNC[C@H]4O)csc3n2)cc1F
InChIInChI=1S/C19H21FN4O3S/c1-27-17-3-2-11(6-13(17)20)14-9-24-15(10-28-19(24)23-14)18(26)22-7-12-4-5-21-8-16(12)25/h2-3,6,9-10,12,16,21,25H,4-5,7-8H2,1H3,(H,22,26)/t12-,16+/m0/s1
InChIKeyAAODQJGRNZICJY-BLLLJJGKSA-N
MW404.47 g/mol
LogP1.91
Rot. Bonds5

About 6-(3-fluoro-4-methoxyphenyl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

6-(3-fluoro-4-methoxyphenyl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 56754089) has the molecular formula C19H21FN4O3S and a molecular weight of 404.47 g/mol. Its IUPAC name is 6-(3-fluoro-4-methoxyphenyl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluoro-4-methoxyphenyl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID56754089
Molecular FormulaC19H21FN4O3S
Molecular Weight404.47 g/mol
Exact Mass404.13
IUPAC Name6-(3-fluoro-4-methoxyphenyl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCOc1ccc(-c2cn3c(C(=O)NC[C@@H]4CCNC[C@H]4O)csc3n2)cc1F
InChIInChI=1S/C19H21FN4O3S/c1-27-17-3-2-11(6-13(17)20)14-9-24-15(10-28-19(24)23-14)18(26)22-7-12-4-5-21-8-16(12)25/h2-3,6,9-10,12,16,21,25H,4-5,7-8H2,1H3,(H,22,26)/t12-,16+/m0/s1
InChIKeyAAODQJGRNZICJY-BLLLJJGKSA-N
XLogP1.91
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(3-ethylpiperazin-1-yl)-[6-(3-fluoro-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone
CID 56757554
(2S)-1-[6-(3-fluoro-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]pyrrolidine-2-carboxamide
CID 42286268
3-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methoxybenzamide;hydrochloride
CID 120944009
N-(3-ethoxypropyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270327
2-(4-cyano-3-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-5-methyl-N-[(3R)-pyrrolidin-3-yl]imidazole-4-carboxamide
CID 135326463
N-cycloheptyl-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270576
6-(4-chlorophenyl)-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 45212982
6-(4-chlorophenyl)-N-(2-methoxy-2-methylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 26401845
6-(3-methoxyphenyl)-N-(3-methoxypropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270765
6-(4-fluorophenyl)-N-(2-oxopiperidin-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 56701969
6-(4-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270727
N-[(1,1-dioxothiolan-3-yl)methyl]-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 45207905

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methoxyphenyl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 6-(3-fluoro-4-methoxyphenyl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 56754089) is 6-(3-fluoro-4-methoxyphenyl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 6-(3-fluoro-4-methoxyphenyl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 6-(3-fluoro-4-methoxyphenyl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is COc1ccc(-c2cn3c(C(=O)NC[C@@H]4CCNC[C@H]4O)csc3n2)cc1F.
What is the InChIKey of 6-(3-fluoro-4-methoxyphenyl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is AAODQJGRNZICJY-BLLLJJGKSA-N. The full InChI is InChI=1S/C19H21FN4O3S/c1-27-17-3-2-11(6-13(17)20)14-9-24-15(10-28-19(24)23-14)18(26)22-7-12-4-5-21-8-16(12)25/h2-3,6,9-10,12,16,21,25H,4-5,7-8H2,1H3,(H,22,26)/t12-,16+/m0/s1.
What are the key properties of 6-(3-fluoro-4-methoxyphenyl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
6-(3-fluoro-4-methoxyphenyl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methoxyphenyl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 56754089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).