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

C17H14ClN7O2S — CID 122507541

IUPACN-[5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-1-methyl-2-oxo-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)cn(C)c1=O
InChIInChI=1S/C17H14ClN7O2S/c1-8(26)20-13-5-9(7-25(2)16(13)27)15-23-24-17(28-15)21-12-4-3-11-10(14(12)18)6-19-22-11/h3-7H,1-2H3,(H,19,22)(H,20,26)(H,21,24)
InChIKeyHSLAYQQGIQRTFW-UHFFFAOYSA-N
MW415.87 g/mol
LogP3.14
Rot. Bonds4

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

N-[5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-1-methyl-2-oxo-3-pyridinyl]acetamide (PubChem CID 122507541) has the molecular formula C17H14ClN7O2S and a molecular weight of 415.87 g/mol. Its IUPAC name is N-[5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-1-methyl-2-oxo-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-1-methyl-2-oxo-3-pyridinyl]acetamide
PubChem CID122507541
Molecular FormulaC17H14ClN7O2S
Molecular Weight415.87 g/mol
Exact Mass415.06
IUPAC NameN-[5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-1-methyl-2-oxo-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)cn(C)c1=O
InChIInChI=1S/C17H14ClN7O2S/c1-8(26)20-13-5-9(7-25(2)16(13)27)15-23-24-17(28-15)21-12-4-3-11-10(14(12)18)6-19-22-11/h3-7H,1-2H3,(H,19,22)(H,20,26)(H,21,24)
InChIKeyHSLAYQQGIQRTFW-UHFFFAOYSA-N
XLogP3.14
TPSA117.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.87
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-1-methyl-2-oxo-3-pyridinyl]acetamide?
The IUPAC name of N-[5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-1-methyl-2-oxo-3-pyridinyl]acetamide (CID 122507541) is N-[5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-1-methyl-2-oxo-3-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-1-methyl-2-oxo-3-pyridinyl]acetamide?
The canonical SMILES for N-[5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-1-methyl-2-oxo-3-pyridinyl]acetamide is CC(=O)Nc1cc(-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)cn(C)c1=O.
What is the InChIKey of N-[5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-1-methyl-2-oxo-3-pyridinyl]acetamide?
The InChIKey is HSLAYQQGIQRTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN7O2S/c1-8(26)20-13-5-9(7-25(2)16(13)27)15-23-24-17(28-15)21-12-4-3-11-10(14(12)18)6-19-22-11/h3-7H,1-2H3,(H,19,22)(H,20,26)(H,21,24).
What are the key properties of N-[5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-1-methyl-2-oxo-3-pyridinyl]acetamide?
N-[5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-1-methyl-2-oxo-3-pyridinyl]acetamide has a molecular weight of 415.87 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-1-methyl-2-oxo-3-pyridinyl]acetamide is sourced from PubChem (CID 122507541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).