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

C14H10Cl2N6S — CID 170426993

IUPACN-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESClc1ccc2c(-c3cn[nH]c3)c(CNc3nncs3)[nH]c2c1Cl
InChIInChI=1S/C14H10Cl2N6S/c15-9-2-1-8-11(7-3-18-19-4-7)10(21-13(8)12(9)16)5-17-14-22-20-6-23-14/h1-4,6,21H,5H2,(H,17,22)(H,18,19)
InChIKeyKNQQKFJXKAZTOP-UHFFFAOYSA-N
MW365.25 g/mol
LogP4.33
Rot. Bonds4

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

N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 170426993) has the molecular formula C14H10Cl2N6S and a molecular weight of 365.25 g/mol. Its IUPAC name is N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID170426993
Molecular FormulaC14H10Cl2N6S
Molecular Weight365.25 g/mol
Exact Mass364.01
IUPAC NameN-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESClc1ccc2c(-c3cn[nH]c3)c(CNc3nncs3)[nH]c2c1Cl
InChIInChI=1S/C14H10Cl2N6S/c15-9-2-1-8-11(7-3-18-19-4-7)10(21-13(8)12(9)16)5-17-14-22-20-6-23-14/h1-4,6,21H,5H2,(H,17,22)(H,18,19)
InChIKeyKNQQKFJXKAZTOP-UHFFFAOYSA-N
XLogP4.33
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indole
CID 170427328
(2S)-1-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indole-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 170427566
[6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methanamine
CID 170426868
6,7-dichloro-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 170427637
6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
CID 170427165
N-[[4-(chloromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-amine
CID 107233099
N-[(2-methyl-1H-imidazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 103933856
1-(6-methyl-1H-indol-3-yl)-2-(1,3,4-thiadiazol-2-ylamino)ethanone;hydroiodide
CID 44660138
6,7-dichloro-10-(1H-pyrazol-4-yl)-2,4-dihydro-1H-pyrazino[1,2-a]indol-3-one
CID 170426767
6,7-dichloro-2-methylsulfinyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole
CID 170610050
2-amino-1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]ethanone;hydrochloride
CID 170426674
1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-methoxyethanone
CID 170610201

Frequently Asked Questions

What is the IUPAC name of N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]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]-1,3,4-thiadiazol-2-amine (CID 170426993) is N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]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]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-1,3,4-thiadiazol-2-amine is Clc1ccc2c(-c3cn[nH]c3)c(CNc3nncs3)[nH]c2c1Cl.
What is the InChIKey of N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is KNQQKFJXKAZTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N6S/c15-9-2-1-8-11(7-3-18-19-4-7)10(21-13(8)12(9)16)5-17-14-22-20-6-23-14/h1-4,6,21H,5H2,(H,17,22)(H,18,19).
What are the key properties of N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-1,3,4-thiadiazol-2-amine?
N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 365.25 g/mol, XLogP of 4.33, 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]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 170426993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).