2-methoxy-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]quinoline-4-carboxamide

C16H16N4O2S — CID 119063740

IUPAC2-methoxy-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]quinoline-4-carboxamide
SMILESCOc1cc(C(=O)NCCc2nnc(C)s2)c2ccccc2n1
InChIInChI=1S/C16H16N4O2S/c1-10-19-20-15(23-10)7-8-17-16(21)12-9-14(22-2)18-13-6-4-3-5-11(12)13/h3-6,9H,7-8H2,1-2H3,(H,17,21)
InChIKeyRTDDZHTWQZUONO-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.38
Rot. Bonds5

About 2-methoxy-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]quinoline-4-carboxamide

2-methoxy-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]quinoline-4-carboxamide (PubChem CID 119063740) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-methoxy-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]quinoline-4-carboxamide
PubChem CID119063740
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name2-methoxy-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]quinoline-4-carboxamide
SMILESCOc1cc(C(=O)NCCc2nnc(C)s2)c2ccccc2n1
InChIInChI=1S/C16H16N4O2S/c1-10-19-20-15(23-10)7-8-17-16(21)12-9-14(22-2)18-13-6-4-3-5-11(12)13/h3-6,9H,7-8H2,1-2H3,(H,17,21)
InChIKeyRTDDZHTWQZUONO-UHFFFAOYSA-N
XLogP2.38
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-phenylquinoline-4-carboxamide
CID 92659633
N-(2-phenylethyl)-2-phenylmethoxyquinoline-4-carboxamide
CID 22577997
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methoxyquinoline-4-carboxamide
CID 74238706
N-[2-(2-methylphenyl)ethyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
CID 22578073
methyl N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]carbamate
CID 110870268
4-[(2-methoxyquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide
CID 143650677
N-[2-(2-methoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide
CID 1257051
N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-methoxyquinoline-4-carboxamide
CID 134709541
2-(3,4-dimethoxyanilino)-N-(2-phenylethyl)quinoline-4-carboxamide
CID 15990753
2-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 4643106
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide
CID 2353295
N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyquinoline-4-carboxamide
CID 22577984

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-methoxy-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]quinoline-4-carboxamide (CID 119063740) is 2-methoxy-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-methoxy-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-methoxy-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]quinoline-4-carboxamide is COc1cc(C(=O)NCCc2nnc(C)s2)c2ccccc2n1.
What is the InChIKey of 2-methoxy-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]quinoline-4-carboxamide?
The InChIKey is RTDDZHTWQZUONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-10-19-20-15(23-10)7-8-17-16(21)12-9-14(22-2)18-13-6-4-3-5-11(12)13/h3-6,9H,7-8H2,1-2H3,(H,17,21).
What are the key properties of 2-methoxy-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]quinoline-4-carboxamide?
2-methoxy-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]quinoline-4-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 119063740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).