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

C15H13N3S — CID 19417719

IUPAC2-[(5-methyl-1H-imidazol-4-yl)methyl]-4H-indeno[1,2-d][1,3]thiazole
SMILESCc1[nH]cnc1Cc1nc2c(s1)Cc1ccccc1-2
InChIInChI=1S/C15H13N3S/c1-9-12(17-8-16-9)7-14-18-15-11-5-3-2-4-10(11)6-13(15)19-14/h2-5,8H,6-7H2,1H3,(H,16,17)
InChIKeyIUQMXMDWDZSYFI-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.34
Rot. Bonds2

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

2-[(5-methyl-1H-imidazol-4-yl)methyl]-4H-indeno[1,2-d][1,3]thiazole (PubChem CID 19417719) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4H-indeno[1,2-d][1,3]thiazole.

Molecular Properties

Compound Name2-[(5-methyl-1H-imidazol-4-yl)methyl]-4H-indeno[1,2-d][1,3]thiazole
PubChem CID19417719
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC Name2-[(5-methyl-1H-imidazol-4-yl)methyl]-4H-indeno[1,2-d][1,3]thiazole
SMILESCc1[nH]cnc1Cc1nc2c(s1)Cc1ccccc1-2
InChIInChI=1S/C15H13N3S/c1-9-12(17-8-16-9)7-14-18-15-11-5-3-2-4-10(11)6-13(15)19-14/h2-5,8H,6-7H2,1H3,(H,16,17)
InChIKeyIUQMXMDWDZSYFI-UHFFFAOYSA-N
XLogP3.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.34
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]-4H-indeno[1,2-d][1,3]thiazole?
The IUPAC name of 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4H-indeno[1,2-d][1,3]thiazole (CID 19417719) is 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4H-indeno[1,2-d][1,3]thiazole.
What is the SMILES notation for 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4H-indeno[1,2-d][1,3]thiazole?
The canonical SMILES for 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4H-indeno[1,2-d][1,3]thiazole is Cc1[nH]cnc1Cc1nc2c(s1)Cc1ccccc1-2.
What is the InChIKey of 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4H-indeno[1,2-d][1,3]thiazole?
The InChIKey is IUQMXMDWDZSYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c1-9-12(17-8-16-9)7-14-18-15-11-5-3-2-4-10(11)6-13(15)19-14/h2-5,8H,6-7H2,1H3,(H,16,17).
What are the key properties of 2-[(5-methyl-1H-imidazol-4-yl)methyl]-4H-indeno[1,2-d][1,3]thiazole?
2-[(5-methyl-1H-imidazol-4-yl)methyl]-4H-indeno[1,2-d][1,3]thiazole has a molecular weight of 267.36 g/mol, XLogP of 3.34, 2 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]-4H-indeno[1,2-d][1,3]thiazole is sourced from PubChem (CID 19417719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).