2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-phenyl-1,3-thiazole

C14H13N3S — CID 14742527

IUPAC2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-phenyl-1,3-thiazole
SMILESCc1[nH]cnc1Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)
InChIKeySDWUPSHVUBKGKN-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.43
Rot. Bonds3

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

2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-phenyl-1,3-thiazole (PubChem CID 14742527) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-phenyl-1,3-thiazole
PubChem CID14742527
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-phenyl-1,3-thiazole
SMILESCc1[nH]cnc1Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)
InChIKeySDWUPSHVUBKGKN-UHFFFAOYSA-N
XLogP3.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-phenyl-1,3-thiazole (CID 14742527) is 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-phenyl-1,3-thiazole is Cc1[nH]cnc1Cc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-phenyl-1,3-thiazole?
The InChIKey is SDWUPSHVUBKGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16).
What are the key properties of 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-phenyl-1,3-thiazole?
2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-phenyl-1,3-thiazole has a molecular weight of 255.35 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 14742527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).