N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]pyridine-3-carboxamide

C18H15FN4OS — CID 27554872

IUPACN-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1c(-c2ccc(F)cc2)nc2n1CCS2)c1cccnc1
InChIInChI=1S/C18H15FN4OS/c19-14-5-3-12(4-6-14)16-15(23-8-9-25-18(23)22-16)11-21-17(24)13-2-1-7-20-10-13/h1-7,10H,8-9,11H2,(H,21,24)
InChIKeyWQNSEFYJVIRFCT-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.12
Rot. Bonds4

About N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]pyridine-3-carboxamide

N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]pyridine-3-carboxamide (PubChem CID 27554872) has the molecular formula C18H15FN4OS and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]pyridine-3-carboxamide
PubChem CID27554872
Molecular FormulaC18H15FN4OS
Molecular Weight354.41 g/mol
Exact Mass354.10
IUPAC NameN-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1c(-c2ccc(F)cc2)nc2n1CCS2)c1cccnc1
InChIInChI=1S/C18H15FN4OS/c19-14-5-3-12(4-6-14)16-15(23-8-9-25-18(23)22-16)11-21-17(24)13-2-1-7-20-10-13/h1-7,10H,8-9,11H2,(H,21,24)
InChIKeyWQNSEFYJVIRFCT-UHFFFAOYSA-N
XLogP3.12
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]pyridine-3-carboxamide (CID 27554872) is N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]pyridine-3-carboxamide is O=C(NCc1c(-c2ccc(F)cc2)nc2n1CCS2)c1cccnc1.
What is the InChIKey of N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]pyridine-3-carboxamide?
The InChIKey is WQNSEFYJVIRFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4OS/c19-14-5-3-12(4-6-14)16-15(23-8-9-25-18(23)22-16)11-21-17(24)13-2-1-7-20-10-13/h1-7,10H,8-9,11H2,(H,21,24).
What are the key properties of N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]pyridine-3-carboxamide?
N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]pyridine-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 27554872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).