[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

C17H15FN4OS — CID 154838235

IUPAC[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1csc(Cc2cccc(F)c2)n1)N1CCc2nc[nH]c2C1
InChIInChI=1S/C17H15FN4OS/c18-12-3-1-2-11(6-12)7-16-21-15(9-24-16)17(23)22-5-4-13-14(8-22)20-10-19-13/h1-3,6,9-10H,4-5,7-8H2,(H,19,20)
InChIKeyMQKYNNHNQLBYKS-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.79
Rot. Bonds3

About [2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 154838235) has the molecular formula C17H15FN4OS and a molecular weight of 342.40 g/mol. Its IUPAC name is [2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID154838235
Molecular FormulaC17H15FN4OS
Molecular Weight342.40 g/mol
Exact Mass342.10
IUPAC Name[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1csc(Cc2cccc(F)c2)n1)N1CCc2nc[nH]c2C1
InChIInChI=1S/C17H15FN4OS/c18-12-3-1-2-11(6-12)7-16-21-15(9-24-16)17(23)22-5-4-13-14(8-22)20-10-19-13/h1-3,6,9-10H,4-5,7-8H2,(H,19,20)
InChIKeyMQKYNNHNQLBYKS-UHFFFAOYSA-N
XLogP2.79
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 110021460
(6S)-5-(2-benzyl-1,3-thiazole-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 97281749
(2-benzyl-1,3-thiazol-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 39877890
(6,7-difluoroquinolin-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 167862473
7-[[2-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]amino]heptanoic acid
CID 120524058
3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)benzonitrile
CID 53145213
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone
CID 136524051
(5-oxopyrrolidin-2-yl)methyl 2-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxylate
CID 75500394
(3,4-dichlorophenyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 110712764
2-chloro-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 131057090
(3,5-dichlorophenyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 150004835
(4-hydroxy-1-benzothiophen-6-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 167802043

Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of [2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (CID 154838235) is [2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for [2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for [2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is O=C(c1csc(Cc2cccc(F)c2)n1)N1CCc2nc[nH]c2C1.
What is the InChIKey of [2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is MQKYNNHNQLBYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4OS/c18-12-3-1-2-11(6-12)7-16-21-15(9-24-16)17(23)22-5-4-13-14(8-22)20-10-19-13/h1-3,6,9-10H,4-5,7-8H2,(H,19,20).
What are the key properties of [2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 342.40 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 154838235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).