N-cyclopropyl-6-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

C21H17FN4OS — CID 56704737

IUPACN-cyclopropyl-6-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(c1csc2nc(-c3cccc(F)c3)cn12)N(Cc1ccncc1)C1CC1
InChIInChI=1S/C21H17FN4OS/c22-16-3-1-2-15(10-16)18-12-26-19(13-28-21(26)24-18)20(27)25(17-4-5-17)11-14-6-8-23-9-7-14/h1-3,6-10,12-13,17H,4-5,11H2
InChIKeyRTNBPJXCGPZEQI-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.40
Rot. Bonds5

About N-cyclopropyl-6-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

N-cyclopropyl-6-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 56704737) has the molecular formula C21H17FN4OS and a molecular weight of 392.46 g/mol. Its IUPAC name is N-cyclopropyl-6-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID56704737
Molecular FormulaC21H17FN4OS
Molecular Weight392.46 g/mol
Exact Mass392.11
IUPAC NameN-cyclopropyl-6-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(c1csc2nc(-c3cccc(F)c3)cn12)N(Cc1ccncc1)C1CC1
InChIInChI=1S/C21H17FN4OS/c22-16-3-1-2-15(10-16)18-12-26-19(13-28-21(26)24-18)20(27)25(17-4-5-17)11-14-6-8-23-9-7-14/h1-3,6-10,12-13,17H,4-5,11H2
InChIKeyRTNBPJXCGPZEQI-UHFFFAOYSA-N
XLogP4.40
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42596781
N-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 25285955
6-(3-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42595571
N-[(2S)-1-(dimethylamino)butan-2-yl]-6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 95230924
N-cyclopropyl-3,5-difluoro-N-(pyridin-4-ylmethyl)benzamide
CID 47017136
N-benzyl-N,6-diphenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271548
[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42512545
6-(3-chlorophenyl)-N-(cyclopropylmethyl)-N-propylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42511041
6-(4-ethylphenyl)-N-methyl-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42519951
N-(3-fluorophenyl)-6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270856
2-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 62788943
3-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 60777644

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-6-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 56704737) is N-cyclopropyl-6-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-6-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is O=C(c1csc2nc(-c3cccc(F)c3)cn12)N(Cc1ccncc1)C1CC1.
What is the InChIKey of N-cyclopropyl-6-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is RTNBPJXCGPZEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4OS/c22-16-3-1-2-15(10-16)18-12-26-19(13-28-21(26)24-18)20(27)25(17-4-5-17)11-14-6-8-23-9-7-14/h1-3,6-10,12-13,17H,4-5,11H2.
What are the key properties of N-cyclopropyl-6-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
N-cyclopropyl-6-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 56704737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).