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

C14H13N5OS — CID 115635314

IUPAC2-(methylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
SMILESCNc1cc(C(=O)Nc2nnc(C)s2)c2ccccc2n1
InChIInChI=1S/C14H13N5OS/c1-8-18-19-14(21-8)17-13(20)10-7-12(15-2)16-11-6-4-3-5-9(10)11/h3-7H,1-2H3,(H,15,16)(H,17,19,20)
InChIKeySFOSYEJXMCOUAH-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.69
Rot. Bonds3

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

2-(methylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide (PubChem CID 115635314) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-(methylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(methylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
PubChem CID115635314
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC Name2-(methylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
SMILESCNc1cc(C(=O)Nc2nnc(C)s2)c2ccccc2n1
InChIInChI=1S/C14H13N5OS/c1-8-18-19-14(21-8)17-13(20)10-7-12(15-2)16-11-6-4-3-5-9(10)11/h3-7H,1-2H3,(H,15,16)(H,17,19,20)
InChIKeySFOSYEJXMCOUAH-UHFFFAOYSA-N
XLogP2.69
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 4787571
3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide
CID 4079544
N-(1H-imidazol-2-yl)-2-(methylamino)quinoline-4-carboxamide
CID 63563757
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-3-carboxamide
CID 17374715
2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 62165979
N-[4-(ethylcarbamoyl)quinolin-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 84595270
2-(4-methylphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 55810221
3-(cyclopropanecarbonylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide
CID 134022231
2-(methylamino)quinoline-4-carbothioamide
CID 63886082
1-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinoline-4-carboxamide
CID 106772932
2-methyl-N-(4-methyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2085562
2-(methylamino)-N-(1-methylcyclopentyl)quinoline-4-carboxamide
CID 64688497

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(methylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide (CID 115635314) is 2-(methylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(methylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(methylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide is CNc1cc(C(=O)Nc2nnc(C)s2)c2ccccc2n1.
What is the InChIKey of 2-(methylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is SFOSYEJXMCOUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c1-8-18-19-14(21-8)17-13(20)10-7-12(15-2)16-11-6-4-3-5-9(10)11/h3-7H,1-2H3,(H,15,16)(H,17,19,20).
What are the key properties of 2-(methylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
2-(methylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 115635314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).