7-methyl-1H-indole-3-carbonitrile;4-methyl-1,3-thiazole

C14H13N3S — CID 170949727

IUPAC7-methyl-1H-indole-3-carbonitrile;4-methyl-1,3-thiazole
SMILESCc1cccc2c(C#N)c[nH]c12.Cc1cscn1
InChIInChI=1S/C10H8N2.C4H5NS/c1-7-3-2-4-9-8(5-11)6-12-10(7)9;1-4-2-6-3-5-4/h2-4,6,12H,1H3;2-3H,1H3
InChIKeySRUJJLLVBVIYRL-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.80
Rot. Bonds

About 7-methyl-1H-indole-3-carbonitrile;4-methyl-1,3-thiazole

7-methyl-1H-indole-3-carbonitrile;4-methyl-1,3-thiazole (PubChem CID 170949727) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 7-methyl-1H-indole-3-carbonitrile;4-methyl-1,3-thiazole.

Molecular Properties

Compound Name7-methyl-1H-indole-3-carbonitrile;4-methyl-1,3-thiazole
PubChem CID170949727
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name7-methyl-1H-indole-3-carbonitrile;4-methyl-1,3-thiazole
SMILESCc1cccc2c(C#N)c[nH]c12.Cc1cscn1
InChIInChI=1S/C10H8N2.C4H5NS/c1-7-3-2-4-9-8(5-11)6-12-10(7)9;1-4-2-6-3-5-4/h2-4,6,12H,1H3;2-3H,1H3
InChIKeySRUJJLLVBVIYRL-UHFFFAOYSA-N
XLogP3.80
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1H-indole-3-carbonitrile;4-methyl-1,3-thiazole?
The IUPAC name of 7-methyl-1H-indole-3-carbonitrile;4-methyl-1,3-thiazole (CID 170949727) is 7-methyl-1H-indole-3-carbonitrile;4-methyl-1,3-thiazole.
What is the SMILES notation for 7-methyl-1H-indole-3-carbonitrile;4-methyl-1,3-thiazole?
The canonical SMILES for 7-methyl-1H-indole-3-carbonitrile;4-methyl-1,3-thiazole is Cc1cccc2c(C#N)c[nH]c12.Cc1cscn1.
What is the InChIKey of 7-methyl-1H-indole-3-carbonitrile;4-methyl-1,3-thiazole?
The InChIKey is SRUJJLLVBVIYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.C4H5NS/c1-7-3-2-4-9-8(5-11)6-12-10(7)9;1-4-2-6-3-5-4/h2-4,6,12H,1H3;2-3H,1H3.
What are the key properties of 7-methyl-1H-indole-3-carbonitrile;4-methyl-1,3-thiazole?
7-methyl-1H-indole-3-carbonitrile;4-methyl-1,3-thiazole has a molecular weight of 255.35 g/mol, XLogP of 3.80, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1H-indole-3-carbonitrile;4-methyl-1,3-thiazole is sourced from PubChem (CID 170949727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).