2-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]-5-methyl-1,3,4-thiadiazole

C14H9Cl2N5S — CID 170427079

IUPAC2-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(-c2[nH]c3c(Cl)c(Cl)ccc3c2-c2cn[nH]c2)s1
InChIInChI=1S/C14H9Cl2N5S/c1-6-20-21-14(22-6)13-10(7-4-17-18-5-7)8-2-3-9(15)11(16)12(8)19-13/h2-5,19H,1H3,(H,17,18)
InChIKeyOJFBUPCBVDVWLG-UHFFFAOYSA-N
MW350.23 g/mol
LogP4.69
Rot. Bonds2

About 2-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]-5-methyl-1,3,4-thiadiazole

2-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]-5-methyl-1,3,4-thiadiazole (PubChem CID 170427079) has the molecular formula C14H9Cl2N5S and a molecular weight of 350.23 g/mol. Its IUPAC name is 2-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]-5-methyl-1,3,4-thiadiazole
PubChem CID170427079
Molecular FormulaC14H9Cl2N5S
Molecular Weight350.23 g/mol
Exact Mass349.00
IUPAC Name2-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(-c2[nH]c3c(Cl)c(Cl)ccc3c2-c2cn[nH]c2)s1
InChIInChI=1S/C14H9Cl2N5S/c1-6-20-21-14(22-6)13-10(7-4-17-18-5-7)8-2-3-9(15)11(16)12(8)19-13/h2-5,19H,1H3,(H,17,18)
InChIKeyOJFBUPCBVDVWLG-UHFFFAOYSA-N
XLogP4.69
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]-5-methyl-1,3,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US20230391786, Example 5
CID 170426740
US20230391786, Example 238
CID 170426799
6,7-Dichloro-1,2-dimethyl-3-(1H-pyrazol-4-yl)indole
CID 170426855
US20230391786, Example 231
CID 170426921
US20230391786, Example 134
CID 170426932
US20230391786, Example 10
CID 170426993
US20230391786, Example 216
CID 170427036
US20230391786, Example 307
CID 170427068
[6,7-Dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methylurea
CID 170427111
US20230391786, Example 106
CID 170427177
6,7-Dichloro-N-ethyl-3-(1H-pyrazol-4-yl)-1H-indol-4-amine
CID 170427184
6,7-Dichloro-3-(1H-pyrazol-4-yl)-1H-indole
CID 170427328

Frequently Asked Questions

What is the IUPAC name of 2-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]-5-methyl-1,3,4-thiadiazole (CID 170427079) is 2-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]-5-methyl-1,3,4-thiadiazole is Cc1nnc(-c2[nH]c3c(Cl)c(Cl)ccc3c2-c2cn[nH]c2)s1.
What is the InChIKey of 2-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is OJFBUPCBVDVWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N5S/c1-6-20-21-14(22-6)13-10(7-4-17-18-5-7)8-2-3-9(15)11(16)12(8)19-13/h2-5,19H,1H3,(H,17,18).
What are the key properties of 2-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]-5-methyl-1,3,4-thiadiazole?
2-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 350.23 g/mol, XLogP of 4.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 170427079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).