N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-4,5-difluorophenyl]acetamide

C17H11ClF2N6OS — CID 134392832

IUPACN-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-4,5-difluorophenyl]acetamide
SMILESCC(=O)Nc1cc(F)c(F)c(-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)c1
InChIInChI=1S/C17H11ClF2N6OS/c1-7(27)22-8-4-9(15(20)11(19)5-8)16-25-26-17(28-16)23-13-3-2-12-10(14(13)18)6-21-24-12/h2-6H,1H3,(H,21,24)(H,22,27)(H,23,26)
InChIKeyQWHZYGGCMXAHFO-UHFFFAOYSA-N
MW420.83 g/mol
LogP4.72
Rot. Bonds4

About N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-4,5-difluorophenyl]acetamide

N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-4,5-difluorophenyl]acetamide (PubChem CID 134392832) has the molecular formula C17H11ClF2N6OS and a molecular weight of 420.83 g/mol. Its IUPAC name is N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-4,5-difluorophenyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-4,5-difluorophenyl]acetamide
PubChem CID134392832
Molecular FormulaC17H11ClF2N6OS
Molecular Weight420.83 g/mol
Exact Mass420.04
IUPAC NameN-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-4,5-difluorophenyl]acetamide
SMILESCC(=O)Nc1cc(F)c(F)c(-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)c1
InChIInChI=1S/C17H11ClF2N6OS/c1-7(27)22-8-4-9(15(20)11(19)5-8)16-25-26-17(28-16)23-13-3-2-12-10(14(13)18)6-21-24-12/h2-6H,1H3,(H,21,24)(H,22,27)(H,23,26)
InChIKeyQWHZYGGCMXAHFO-UHFFFAOYSA-N
XLogP4.72
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.83
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-4,5-difluorophenyl]acetamide?
The IUPAC name of N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-4,5-difluorophenyl]acetamide (CID 134392832) is N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-4,5-difluorophenyl]acetamide.
What is the SMILES notation for N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-4,5-difluorophenyl]acetamide?
The canonical SMILES for N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-4,5-difluorophenyl]acetamide is CC(=O)Nc1cc(F)c(F)c(-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)c1.
What is the InChIKey of N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-4,5-difluorophenyl]acetamide?
The InChIKey is QWHZYGGCMXAHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2N6OS/c1-7(27)22-8-4-9(15(20)11(19)5-8)16-25-26-17(28-16)23-13-3-2-12-10(14(13)18)6-21-24-12/h2-6H,1H3,(H,21,24)(H,22,27)(H,23,26).
What are the key properties of N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-4,5-difluorophenyl]acetamide?
N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-4,5-difluorophenyl]acetamide has a molecular weight of 420.83 g/mol, XLogP of 4.72, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-4,5-difluorophenyl]acetamide is sourced from PubChem (CID 134392832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).