4-methyl-2-phenyl-5-(2-pyridin-3-yl-2,3-dihydro-1H-imidazol-4-yl)-2,3-dihydro-1,3-thiazole

C18H18N4S — CID 118964149

IUPAC4-methyl-2-phenyl-5-(2-pyridin-3-yl-2,3-dihydro-1H-imidazol-4-yl)-2,3-dihydro-1,3-thiazole
SMILESCC1=C(C2=CNC(c3cccnc3)N2)SC(c2ccccc2)N1
InChIInChI=1S/C18H18N4S/c1-12-16(23-18(21-12)13-6-3-2-4-7-13)15-11-20-17(22-15)14-8-5-9-19-10-14/h2-11,17-18,20-22H,1H3
InChIKeyZUKDLISXBMAODW-UHFFFAOYSA-N
MW322.44 g/mol
LogP3.38
Rot. Bonds3

About 4-methyl-2-phenyl-5-(2-pyridin-3-yl-2,3-dihydro-1H-imidazol-4-yl)-2,3-dihydro-1,3-thiazole

4-methyl-2-phenyl-5-(2-pyridin-3-yl-2,3-dihydro-1H-imidazol-4-yl)-2,3-dihydro-1,3-thiazole (PubChem CID 118964149) has the molecular formula C18H18N4S and a molecular weight of 322.44 g/mol. Its IUPAC name is 4-methyl-2-phenyl-5-(2-pyridin-3-yl-2,3-dihydro-1H-imidazol-4-yl)-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-phenyl-5-(2-pyridin-3-yl-2,3-dihydro-1H-imidazol-4-yl)-2,3-dihydro-1,3-thiazole
PubChem CID118964149
Molecular FormulaC18H18N4S
Molecular Weight322.44 g/mol
Exact Mass322.13
IUPAC Name4-methyl-2-phenyl-5-(2-pyridin-3-yl-2,3-dihydro-1H-imidazol-4-yl)-2,3-dihydro-1,3-thiazole
SMILESCC1=C(C2=CNC(c3cccnc3)N2)SC(c2ccccc2)N1
InChIInChI=1S/C18H18N4S/c1-12-16(23-18(21-12)13-6-3-2-4-7-13)15-11-20-17(22-15)14-8-5-9-19-10-14/h2-11,17-18,20-22H,1H3
InChIKeyZUKDLISXBMAODW-UHFFFAOYSA-N
XLogP3.38
TPSA48.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.44
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-5-(2-pyridin-3-yl-2,3-dihydro-1H-imidazol-4-yl)-2,3-dihydro-1,3-thiazole?
The IUPAC name of 4-methyl-2-phenyl-5-(2-pyridin-3-yl-2,3-dihydro-1H-imidazol-4-yl)-2,3-dihydro-1,3-thiazole (CID 118964149) is 4-methyl-2-phenyl-5-(2-pyridin-3-yl-2,3-dihydro-1H-imidazol-4-yl)-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-phenyl-5-(2-pyridin-3-yl-2,3-dihydro-1H-imidazol-4-yl)-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 4-methyl-2-phenyl-5-(2-pyridin-3-yl-2,3-dihydro-1H-imidazol-4-yl)-2,3-dihydro-1,3-thiazole is CC1=C(C2=CNC(c3cccnc3)N2)SC(c2ccccc2)N1.
What is the InChIKey of 4-methyl-2-phenyl-5-(2-pyridin-3-yl-2,3-dihydro-1H-imidazol-4-yl)-2,3-dihydro-1,3-thiazole?
The InChIKey is ZUKDLISXBMAODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4S/c1-12-16(23-18(21-12)13-6-3-2-4-7-13)15-11-20-17(22-15)14-8-5-9-19-10-14/h2-11,17-18,20-22H,1H3.
What are the key properties of 4-methyl-2-phenyl-5-(2-pyridin-3-yl-2,3-dihydro-1H-imidazol-4-yl)-2,3-dihydro-1,3-thiazole?
4-methyl-2-phenyl-5-(2-pyridin-3-yl-2,3-dihydro-1H-imidazol-4-yl)-2,3-dihydro-1,3-thiazole has a molecular weight of 322.44 g/mol, XLogP of 3.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-5-(2-pyridin-3-yl-2,3-dihydro-1H-imidazol-4-yl)-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 118964149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).