N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]benzamide

C20H20N4O2S — CID 125437509

IUPACN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]benzamide
SMILESC[C@H](O)c1cccc(-c2cccc(C(=O)NCc3cn4c(n3)SCC4)c2)n1
InChIInChI=1S/C20H20N4O2S/c1-13(25)17-6-3-7-18(23-17)14-4-2-5-15(10-14)19(26)21-11-16-12-24-8-9-27-20(24)22-16/h2-7,10,12-13,25H,8-9,11H2,1H3,(H,21,26)/t13-/m0/s1
InChIKeyPVYLUWYFJPWJGZ-ZDUSSCGKSA-N
MW380.47 g/mol
LogP3.03
Rot. Bonds5

About N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]benzamide

N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]benzamide (PubChem CID 125437509) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]benzamide
PubChem CID125437509
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]benzamide
SMILESC[C@H](O)c1cccc(-c2cccc(C(=O)NCc3cn4c(n3)SCC4)c2)n1
InChIInChI=1S/C20H20N4O2S/c1-13(25)17-6-3-7-18(23-17)14-4-2-5-15(10-14)19(26)21-11-16-12-24-8-9-27-20(24)22-16/h2-7,10,12-13,25H,8-9,11H2,1H3,(H,21,26)/t13-/m0/s1
InChIKeyPVYLUWYFJPWJGZ-ZDUSSCGKSA-N
XLogP3.03
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 74232440
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]benzamide
CID 125448562
5-acetyl-N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)thiophene-3-carboxamide
CID 72843322
3-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 125443212
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 70740816
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methoxyquinoline-4-carboxamide
CID 74238706
2-amino-N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
CID 70782320
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methyl-1,3-oxazole-4-carboxamide
CID 74246877
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 121031113
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxyacetamide
CID 40506262
N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)benzamide
CID 110486267
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 121031083

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]benzamide?
The IUPAC name of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]benzamide (CID 125437509) is N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]benzamide.
What is the SMILES notation for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]benzamide?
The canonical SMILES for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]benzamide is C[C@H](O)c1cccc(-c2cccc(C(=O)NCc3cn4c(n3)SCC4)c2)n1.
What is the InChIKey of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]benzamide?
The InChIKey is PVYLUWYFJPWJGZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-13(25)17-6-3-7-18(23-17)14-4-2-5-15(10-14)19(26)21-11-16-12-24-8-9-27-20(24)22-16/h2-7,10,12-13,25H,8-9,11H2,1H3,(H,21,26)/t13-/m0/s1.
What are the key properties of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]benzamide?
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]benzamide has a molecular weight of 380.47 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]benzamide is sourced from PubChem (CID 125437509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).