3-(2-methyl-1,3-thiazol-4-yl)-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one

C19H20N4OS — CID 164692153

IUPAC3-(2-methyl-1,3-thiazol-4-yl)-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
SMILESCc1nc(CCC(=O)N2Cc3[nH]cnc3C(c3ccccc3)C2)cs1
InChIInChI=1S/C19H20N4OS/c1-13-22-15(11-25-13)7-8-18(24)23-9-16(14-5-3-2-4-6-14)19-17(10-23)20-12-21-19/h2-6,11-12,16H,7-10H2,1H3,(H,20,21)
InChIKeyHKHFWOSSMYPCRP-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.28
Rot. Bonds4

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

3-(2-methyl-1,3-thiazol-4-yl)-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one (PubChem CID 164692153) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 3-(2-methyl-1,3-thiazol-4-yl)-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-methyl-1,3-thiazol-4-yl)-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
PubChem CID164692153
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name3-(2-methyl-1,3-thiazol-4-yl)-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
SMILESCc1nc(CCC(=O)N2Cc3[nH]cnc3C(c3ccccc3)C2)cs1
InChIInChI=1S/C19H20N4OS/c1-13-22-15(11-25-13)7-8-18(24)23-9-16(14-5-3-2-4-6-14)19-17(10-23)20-12-21-19/h2-6,11-12,16H,7-10H2,1H3,(H,20,21)
InChIKeyHKHFWOSSMYPCRP-UHFFFAOYSA-N
XLogP3.28
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylsulfanyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 165428218
4,4,4-trifluoro-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butan-1-one
CID 164692889
3-(3,4-difluorophenyl)-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 164692477
3-cyclopentyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 164688938
2,4-dimethyl-5-[2-oxo-2-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]-1H-pyrimidin-6-one
CID 165426094
(2-methyl-1,3-benzothiazol-6-yl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 164694060
(2-methyl-3H-benzimidazol-5-yl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 165418782
2-ethoxy-1-[4-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone
CID 165422608
(3,4-difluorophenyl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 164699015
(3-methylsulfanylphenyl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 164698728
[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 165417518
3-(2-methyl-1,3-thiazol-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 110332738

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one?
The IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one (CID 164692153) is 3-(2-methyl-1,3-thiazol-4-yl)-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one.
What is the SMILES notation for 3-(2-methyl-1,3-thiazol-4-yl)-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one?
The canonical SMILES for 3-(2-methyl-1,3-thiazol-4-yl)-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one is Cc1nc(CCC(=O)N2Cc3[nH]cnc3C(c3ccccc3)C2)cs1.
What is the InChIKey of 3-(2-methyl-1,3-thiazol-4-yl)-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one?
The InChIKey is HKHFWOSSMYPCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-13-22-15(11-25-13)7-8-18(24)23-9-16(14-5-3-2-4-6-14)19-17(10-23)20-12-21-19/h2-6,11-12,16H,7-10H2,1H3,(H,20,21).
What are the key properties of 3-(2-methyl-1,3-thiazol-4-yl)-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one?
3-(2-methyl-1,3-thiazol-4-yl)-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one has a molecular weight of 352.46 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-thiazol-4-yl)-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one is sourced from PubChem (CID 164692153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).