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

C17H15N3S2 — CID 9422833

IUPAC4-(1H-indol-3-yl)-5-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole
SMILESCc1csc(Cc2nc(-c3c[nH]c4ccccc34)c(C)s2)n1
InChIInChI=1S/C17H15N3S2/c1-10-9-21-15(19-10)7-16-20-17(11(2)22-16)13-8-18-14-6-4-3-5-12(13)14/h3-6,8-9,18H,7H2,1-2H3
InChIKeyMHIZYBGOEQEZMT-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.96
Rot. Bonds3

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

4-(1H-indol-3-yl)-5-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole (PubChem CID 9422833) has the molecular formula C17H15N3S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-5-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-5-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole
PubChem CID9422833
Molecular FormulaC17H15N3S2
Molecular Weight325.46 g/mol
Exact Mass325.07
IUPAC Name4-(1H-indol-3-yl)-5-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole
SMILESCc1csc(Cc2nc(-c3c[nH]c4ccccc34)c(C)s2)n1
InChIInChI=1S/C17H15N3S2/c1-10-9-21-15(19-10)7-16-20-17(11(2)22-16)13-8-18-14-6-4-3-5-12(13)14/h3-6,8-9,18H,7H2,1-2H3
InChIKeyMHIZYBGOEQEZMT-UHFFFAOYSA-N
XLogP4.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1H-indol-3-yl)-5-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole with MolForge

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Related Compounds

1-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]ethanamine
CID 116867715
4-(1H-indol-3-yl)-5-methyl-1,3-thiazole-2-carbaldehyde
CID 116867279
2-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962888
2-benzyl-4-(1H-indol-3-yl)-1,3-thiazole
CID 963414
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-3-carboxamide
CID 61381420
2-(1H-indol-3-yl)-4-methyl-1,3-thiazole-5-thiol
CID 136988627
3-(1H-indol-3-yl)-N,5-dimethyl-1H-pyrazol-4-amine
CID 136995809
2-benzyl-4-methyl-1,3-thiazole;ethane
CID 91344843
2-(1H-indol-3-yl)-1,3-thiazole-4-thiol
CID 116889652
[2-(1H-indol-3-yl)-4-methyl-1,3-thiazol-5-yl]hydrazine
CID 136988758
1H-indol-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone
CID 146238804
ethyl 2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetate
CID 71580227

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-5-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-(1H-indol-3-yl)-5-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole (CID 9422833) is 4-(1H-indol-3-yl)-5-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-(1H-indol-3-yl)-5-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-(1H-indol-3-yl)-5-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole is Cc1csc(Cc2nc(-c3c[nH]c4ccccc34)c(C)s2)n1.
What is the InChIKey of 4-(1H-indol-3-yl)-5-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole?
The InChIKey is MHIZYBGOEQEZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3S2/c1-10-9-21-15(19-10)7-16-20-17(11(2)22-16)13-8-18-14-6-4-3-5-12(13)14/h3-6,8-9,18H,7H2,1-2H3.
What are the key properties of 4-(1H-indol-3-yl)-5-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole?
4-(1H-indol-3-yl)-5-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole has a molecular weight of 325.46 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-5-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 9422833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).