3-[2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethyl]-2H-1,3,4-thiadiazol-2-amine

C19H22FN5S — CID 67411112

IUPAC3-[2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethyl]-2H-1,3,4-thiadiazol-2-amine
SMILESCC1=Cc2c(cnn2-c2ccc(F)cc2)CC1(C)CCN1N=CSC1N
InChIInChI=1S/C19H22FN5S/c1-13-9-17-14(11-22-25(17)16-5-3-15(20)4-6-16)10-19(13,2)7-8-24-18(21)26-12-23-24/h3-6,9,11-12,18H,7-8,10,21H2,1-2H3
InChIKeyJZWIHHAKKMRZKH-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.60
Rot. Bonds4

About 3-[2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethyl]-2H-1,3,4-thiadiazol-2-amine

3-[2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethyl]-2H-1,3,4-thiadiazol-2-amine (PubChem CID 67411112) has the molecular formula C19H22FN5S and a molecular weight of 371.49 g/mol. Its IUPAC name is 3-[2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethyl]-2H-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name3-[2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethyl]-2H-1,3,4-thiadiazol-2-amine
PubChem CID67411112
Molecular FormulaC19H22FN5S
Molecular Weight371.49 g/mol
Exact Mass371.16
IUPAC Name3-[2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethyl]-2H-1,3,4-thiadiazol-2-amine
SMILESCC1=Cc2c(cnn2-c2ccc(F)cc2)CC1(C)CCN1N=CSC1N
InChIInChI=1S/C19H22FN5S/c1-13-9-17-14(11-22-25(17)16-5-3-15(20)4-6-16)10-19(13,2)7-8-24-18(21)26-12-23-24/h3-6,9,11-12,18H,7-8,10,21H2,1-2H3
InChIKeyJZWIHHAKKMRZKH-UHFFFAOYSA-N
XLogP3.60
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethyl]-2H-1,3,4-thiadiazol-2-amine?
The IUPAC name of 3-[2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethyl]-2H-1,3,4-thiadiazol-2-amine (CID 67411112) is 3-[2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethyl]-2H-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 3-[2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethyl]-2H-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 3-[2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethyl]-2H-1,3,4-thiadiazol-2-amine is CC1=Cc2c(cnn2-c2ccc(F)cc2)CC1(C)CCN1N=CSC1N.
What is the InChIKey of 3-[2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethyl]-2H-1,3,4-thiadiazol-2-amine?
The InChIKey is JZWIHHAKKMRZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5S/c1-13-9-17-14(11-22-25(17)16-5-3-15(20)4-6-16)10-19(13,2)7-8-24-18(21)26-12-23-24/h3-6,9,11-12,18H,7-8,10,21H2,1-2H3.
What are the key properties of 3-[2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethyl]-2H-1,3,4-thiadiazol-2-amine?
3-[2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethyl]-2H-1,3,4-thiadiazol-2-amine has a molecular weight of 371.49 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethyl]-2H-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 67411112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).