N-(4-chloro-1H-indazol-5-yl)-5-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-1,3,4-thiadiazol-2-amine

C17H9ClF3N7S — CID 122522855

IUPACN-(4-chloro-1H-indazol-5-yl)-5-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1cn2cccc(-c3nnc(Nc4ccc5[nH]ncc5c4Cl)s3)c2n1
InChIInChI=1S/C17H9ClF3N7S/c18-13-9-6-22-25-10(9)3-4-11(13)23-16-27-26-15(29-16)8-2-1-5-28-7-12(17(19,20)21)24-14(8)28/h1-7H,(H,22,25)(H,23,27)
InChIKeyFBTFIVUTDIXOMR-UHFFFAOYSA-N
MW435.82 g/mol
LogP5.14
Rot. Bonds3

About N-(4-chloro-1H-indazol-5-yl)-5-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-1,3,4-thiadiazol-2-amine

N-(4-chloro-1H-indazol-5-yl)-5-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 122522855) has the molecular formula C17H9ClF3N7S and a molecular weight of 435.82 g/mol. Its IUPAC name is N-(4-chloro-1H-indazol-5-yl)-5-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(4-chloro-1H-indazol-5-yl)-5-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-1,3,4-thiadiazol-2-amine
PubChem CID122522855
Molecular FormulaC17H9ClF3N7S
Molecular Weight435.82 g/mol
Exact Mass435.03
IUPAC NameN-(4-chloro-1H-indazol-5-yl)-5-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1cn2cccc(-c3nnc(Nc4ccc5[nH]ncc5c4Cl)s3)c2n1
InChIInChI=1S/C17H9ClF3N7S/c18-13-9-6-22-25-10(9)3-4-11(13)23-16-27-26-15(29-16)8-2-1-5-28-7-12(17(19,20)21)24-14(8)28/h1-7H,(H,22,25)(H,23,27)
InChIKeyFBTFIVUTDIXOMR-UHFFFAOYSA-N
XLogP5.14
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.82
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1H-indazol-5-yl)-5-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(4-chloro-1H-indazol-5-yl)-5-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-1,3,4-thiadiazol-2-amine (CID 122522855) is N-(4-chloro-1H-indazol-5-yl)-5-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(4-chloro-1H-indazol-5-yl)-5-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(4-chloro-1H-indazol-5-yl)-5-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-1,3,4-thiadiazol-2-amine is FC(F)(F)c1cn2cccc(-c3nnc(Nc4ccc5[nH]ncc5c4Cl)s3)c2n1.
What is the InChIKey of N-(4-chloro-1H-indazol-5-yl)-5-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is FBTFIVUTDIXOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF3N7S/c18-13-9-6-22-25-10(9)3-4-11(13)23-16-27-26-15(29-16)8-2-1-5-28-7-12(17(19,20)21)24-14(8)28/h1-7H,(H,22,25)(H,23,27).
What are the key properties of N-(4-chloro-1H-indazol-5-yl)-5-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-1,3,4-thiadiazol-2-amine?
N-(4-chloro-1H-indazol-5-yl)-5-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 435.82 g/mol, XLogP of 5.14, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1H-indazol-5-yl)-5-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 122522855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).