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

C16H14N4S — CID 14742526

IUPAC4-(1H-indol-3-yl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole
SMILESCc1[nH]cnc1Cc1nc(-c2c[nH]c3ccccc23)cs1
InChIInChI=1S/C16H14N4S/c1-10-14(19-9-18-10)6-16-20-15(8-21-16)12-7-17-13-5-3-2-4-11(12)13/h2-5,7-9,17H,6H2,1H3,(H,18,19)
InChIKeyTZUKARBKFHPFDV-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.91
Rot. Bonds3

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

4-(1H-indol-3-yl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole (PubChem CID 14742526) has the molecular formula C16H14N4S and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole
PubChem CID14742526
Molecular FormulaC16H14N4S
Molecular Weight294.38 g/mol
Exact Mass294.09
IUPAC Name4-(1H-indol-3-yl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole
SMILESCc1[nH]cnc1Cc1nc(-c2c[nH]c3ccccc23)cs1
InChIInChI=1S/C16H14N4S/c1-10-14(19-9-18-10)6-16-20-15(8-21-16)12-7-17-13-5-3-2-4-11(12)13/h2-5,7-9,17H,6H2,1H3,(H,18,19)
InChIKeyTZUKARBKFHPFDV-UHFFFAOYSA-N
XLogP3.91
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-(1H-indol-3-yl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole (CID 14742526) is 4-(1H-indol-3-yl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-(1H-indol-3-yl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-(1H-indol-3-yl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole is Cc1[nH]cnc1Cc1nc(-c2c[nH]c3ccccc23)cs1.
What is the InChIKey of 4-(1H-indol-3-yl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole?
The InChIKey is TZUKARBKFHPFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4S/c1-10-14(19-9-18-10)6-16-20-15(8-21-16)12-7-17-13-5-3-2-4-11(12)13/h2-5,7-9,17H,6H2,1H3,(H,18,19).
What are the key properties of 4-(1H-indol-3-yl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole?
4-(1H-indol-3-yl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole has a molecular weight of 294.38 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 14742526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).