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

C15H12Cl2N6S — CID 170427483

IUPACN-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCc2[nH]c3c(Cl)c(Cl)ccc3c2-c2cn[nH]c2)s1
InChIInChI=1S/C15H12Cl2N6S/c1-7-22-23-15(24-7)18-6-11-12(8-4-19-20-5-8)9-2-3-10(16)13(17)14(9)21-11/h2-5,21H,6H2,1H3,(H,18,23)(H,19,20)
InChIKeyLJXRVMOQKUUWPT-UHFFFAOYSA-N
MW379.28 g/mol
LogP4.64
Rot. Bonds4

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

N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 170427483) has the molecular formula C15H12Cl2N6S and a molecular weight of 379.28 g/mol. Its IUPAC name is N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID170427483
Molecular FormulaC15H12Cl2N6S
Molecular Weight379.28 g/mol
Exact Mass378.02
IUPAC NameN-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCc2[nH]c3c(Cl)c(Cl)ccc3c2-c2cn[nH]c2)s1
InChIInChI=1S/C15H12Cl2N6S/c1-7-22-23-15(24-7)18-6-11-12(8-4-19-20-5-8)9-2-3-10(16)13(17)14(9)21-11/h2-5,21H,6H2,1H3,(H,18,23)(H,19,20)
InChIKeyLJXRVMOQKUUWPT-UHFFFAOYSA-N
XLogP4.64
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

US20230391786, Example 12
CID 170426549
US20230391786, Example 231
CID 170426921
US20230391786, Example 10
CID 170426993
US20230391786, Example 158
CID 170427079
[6,7-Dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methylurea
CID 170427111
US20230391786, Example 103
CID 170427222
US20230391786, Example 34
CID 170427549
6,7-Dichloro-2-methyl-3-(1H-pyrazol-4-yl)-1H-indole
CID 170427914
US12404261, Example 13
CID 164549172
US12404261, Example 78
CID 164549210
US12404261, Example 10
CID 164549226
US12404261, Example 11
CID 164549245

Frequently Asked Questions

What is the IUPAC name of N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine (CID 170427483) is N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(NCc2[nH]c3c(Cl)c(Cl)ccc3c2-c2cn[nH]c2)s1.
What is the InChIKey of N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is LJXRVMOQKUUWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N6S/c1-7-22-23-15(24-7)18-6-11-12(8-4-19-20-5-8)9-2-3-10(16)13(17)14(9)21-11/h2-5,21H,6H2,1H3,(H,18,23)(H,19,20).
What are the key properties of N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 379.28 g/mol, XLogP of 4.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 170427483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).