4-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)quinoline-2-carboxamide

C13H11N5OS — CID 115751996

IUPAC4-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)quinoline-2-carboxamide
SMILESCc1nsc(NC(=O)c2cc(N)c3ccccc3n2)n1
InChIInChI=1S/C13H11N5OS/c1-7-15-13(20-18-7)17-12(19)11-6-9(14)8-4-2-3-5-10(8)16-11/h2-6H,1H3,(H2,14,16)(H,15,17,18,19)
InChIKeyXFTLRMDAQACBNE-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.23
Rot. Bonds2

About 4-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)quinoline-2-carboxamide

4-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)quinoline-2-carboxamide (PubChem CID 115751996) has the molecular formula C13H11N5OS and a molecular weight of 285.33 g/mol. Its IUPAC name is 4-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)quinoline-2-carboxamide
PubChem CID115751996
Molecular FormulaC13H11N5OS
Molecular Weight285.33 g/mol
Exact Mass285.07
IUPAC Name4-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)quinoline-2-carboxamide
SMILESCc1nsc(NC(=O)c2cc(N)c3ccccc3n2)n1
InChIInChI=1S/C13H11N5OS/c1-7-15-13(20-18-7)17-12(19)11-6-9(14)8-4-2-3-5-10(8)16-11/h2-6H,1H3,(H2,14,16)(H,15,17,18,19)
InChIKeyXFTLRMDAQACBNE-UHFFFAOYSA-N
XLogP2.23
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
CID 63377505
4-amino-N-(thiadiazol-5-yl)quinoline-2-carboxamide
CID 114912372
4-amino-N-(5-methyl-3-pyridinyl)quinoline-2-carboxamide
CID 107585398
4-amino-N-(2-iodophenyl)quinoline-2-carboxamide
CID 63375620
4-amino-N-(4-methyl-3-pyridinyl)quinoline-2-carboxamide
CID 63375284
4-aminoquinoline-2-carboxylic acid;hydrochloride
CID 171379335
4-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoline-2-carboxamide
CID 63375237
4-amino-N-(2-bromophenyl)quinoline-2-carboxamide
CID 63375071
4-amino-N-carbamoylquinoline-2-carboxamide
CID 18770494
4-amino-N-[(5-methylthiophen-2-yl)methyl]quinoline-2-carboxamide
CID 63375047
4-amino-N-(3-bromophenyl)quinoline-2-carboxamide
CID 63375115
4-amino-N-(2,2-dimethylbutyl)quinoline-2-carboxamide
CID 103461470

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)quinoline-2-carboxamide?
The IUPAC name of 4-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)quinoline-2-carboxamide (CID 115751996) is 4-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)quinoline-2-carboxamide.
What is the SMILES notation for 4-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)quinoline-2-carboxamide?
The canonical SMILES for 4-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)quinoline-2-carboxamide is Cc1nsc(NC(=O)c2cc(N)c3ccccc3n2)n1.
What is the InChIKey of 4-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)quinoline-2-carboxamide?
The InChIKey is XFTLRMDAQACBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5OS/c1-7-15-13(20-18-7)17-12(19)11-6-9(14)8-4-2-3-5-10(8)16-11/h2-6H,1H3,(H2,14,16)(H,15,17,18,19).
What are the key properties of 4-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)quinoline-2-carboxamide?
4-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)quinoline-2-carboxamide has a molecular weight of 285.33 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)quinoline-2-carboxamide is sourced from PubChem (CID 115751996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).