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

C16H16N4S — CID 165428527

IUPAC2-[(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,3-thiazole
SMILESc1ccc(C2CN(Cc3nccs3)Cc3[nH]cnc32)cc1
InChIInChI=1S/C16H16N4S/c1-2-4-12(5-3-1)13-8-20(10-15-17-6-7-21-15)9-14-16(13)19-11-18-14/h1-7,11,13H,8-10H2,(H,18,19)
InChIKeyLHMBFNYJBQZXMN-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.01
Rot. Bonds3

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

2-[(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,3-thiazole (PubChem CID 165428527) has the molecular formula C16H16N4S and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-[(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,3-thiazole
PubChem CID165428527
Molecular FormulaC16H16N4S
Molecular Weight296.40 g/mol
Exact Mass296.11
IUPAC Name2-[(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,3-thiazole
SMILESc1ccc(C2CN(Cc3nccs3)Cc3[nH]cnc32)cc1
InChIInChI=1S/C16H16N4S/c1-2-4-12(5-3-1)13-8-20(10-15-17-6-7-21-15)9-14-16(13)19-11-18-14/h1-7,11,13H,8-10H2,(H,18,19)
InChIKeyLHMBFNYJBQZXMN-UHFFFAOYSA-N
XLogP3.01
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,3-thiazole with MolForge

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Related Compounds

3-[5-(1H-benzimidazol-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol
CID 165423369
4,4,4-trifluoro-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butan-1-one
CID 164692889
6-benzyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
CID 12737000
3-cyclopentyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 164688938
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
3-[5-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol
CID 165422483
3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione
CID 64965734
(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(2-pyridin-2-ylpyrimidin-5-yl)methanone
CID 165418989
(3,4-difluorophenyl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 164699015
2-ethoxy-1-[4-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone
CID 165422608
(5S,9S)-2-ethyl-9-phenyl-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97471899
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

Frequently Asked Questions

What is the IUPAC name of 2-[(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-[(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,3-thiazole (CID 165428527) is 2-[(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-[(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,3-thiazole is c1ccc(C2CN(Cc3nccs3)Cc3[nH]cnc32)cc1.
What is the InChIKey of 2-[(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,3-thiazole?
The InChIKey is LHMBFNYJBQZXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4S/c1-2-4-12(5-3-1)13-8-20(10-15-17-6-7-21-15)9-14-16(13)19-11-18-14/h1-7,11,13H,8-10H2,(H,18,19).
What are the key properties of 2-[(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,3-thiazole?
2-[(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,3-thiazole has a molecular weight of 296.40 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 165428527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).