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

C18H16N4OS — CID 169164254

IUPAC2-[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4-methyl-1,3-thiazole
SMILESCc1csc(N2CCc3[nH]cnc3[C@@H]2c2cc3ccccc3o2)n1
InChIInChI=1S/C18H16N4OS/c1-11-9-24-18(21-11)22-7-6-13-16(20-10-19-13)17(22)15-8-12-4-2-3-5-14(12)23-15/h2-5,8-10,17H,6-7H2,1H3,(H,19,20)/t17-/m0/s1
InChIKeyWKXFHYVCMOYVSA-KRWDZBQOSA-N
MW336.42 g/mol
LogP4.07
Rot. Bonds2

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

2-[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4-methyl-1,3-thiazole (PubChem CID 169164254) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is 2-[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4-methyl-1,3-thiazole
PubChem CID169164254
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC Name2-[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4-methyl-1,3-thiazole
SMILESCc1csc(N2CCc3[nH]cnc3[C@@H]2c2cc3ccccc3o2)n1
InChIInChI=1S/C18H16N4OS/c1-11-9-24-18(21-11)22-7-6-13-16(20-10-19-13)17(22)15-8-12-4-2-3-5-14(12)23-15/h2-5,8-10,17H,6-7H2,1H3,(H,19,20)/t17-/m0/s1
InChIKeyWKXFHYVCMOYVSA-KRWDZBQOSA-N
XLogP4.07
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4-methyl-1,3-thiazole (CID 169164254) is 2-[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4-methyl-1,3-thiazole is Cc1csc(N2CCc3[nH]cnc3[C@@H]2c2cc3ccccc3o2)n1.
What is the InChIKey of 2-[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4-methyl-1,3-thiazole?
The InChIKey is WKXFHYVCMOYVSA-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H16N4OS/c1-11-9-24-18(21-11)22-7-6-13-16(20-10-19-13)17(22)15-8-12-4-2-3-5-14(12)23-15/h2-5,8-10,17H,6-7H2,1H3,(H,19,20)/t17-/m0/s1.
What are the key properties of 2-[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4-methyl-1,3-thiazole?
2-[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4-methyl-1,3-thiazole has a molecular weight of 336.42 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 169164254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).