N-(6-chloropyridazin-3-yl)-5-methylthiophene-2-carboxamide

C10H8ClN3OS — CID 115608643

IUPACN-(6-chloropyridazin-3-yl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)nn2)s1
InChIInChI=1S/C10H8ClN3OS/c1-6-2-3-7(16-6)10(15)12-9-5-4-8(11)13-14-9/h2-5H,1H3,(H,12,14,15)
InChIKeyGPQKRKZVWSMGKZ-UHFFFAOYSA-N
MW253.71 g/mol
LogP2.75
Rot. Bonds2

About N-(6-chloropyridazin-3-yl)-5-methylthiophene-2-carboxamide

N-(6-chloropyridazin-3-yl)-5-methylthiophene-2-carboxamide (PubChem CID 115608643) has the molecular formula C10H8ClN3OS and a molecular weight of 253.71 g/mol. Its IUPAC name is N-(6-chloropyridazin-3-yl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-chloropyridazin-3-yl)-5-methylthiophene-2-carboxamide
PubChem CID115608643
Molecular FormulaC10H8ClN3OS
Molecular Weight253.71 g/mol
Exact Mass253.01
IUPAC NameN-(6-chloropyridazin-3-yl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)nn2)s1
InChIInChI=1S/C10H8ClN3OS/c1-6-2-3-7(16-6)10(15)12-9-5-4-8(11)13-14-9/h2-5H,1H3,(H,12,14,15)
InChIKeyGPQKRKZVWSMGKZ-UHFFFAOYSA-N
XLogP2.75
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloropyrazin-2-yl)-5-methylthiophene-2-carboxamide
CID 104964172
N-(6-chloro-2-pyridinyl)-5-methylthiophene-2-carboxamide
CID 115669462
N-(6-chloropyridazin-3-yl)-2,4-dimethylbenzamide
CID 115608616
N-(6-chloropyridazin-3-yl)benzamide
CID 13125576
3,5-dichloro-N-(6-chloropyridazin-3-yl)benzamide
CID 113230922
4-bromo-N-(6-chloropyridazin-3-yl)-2-methylbenzamide
CID 115624460
N-(6-chloropyridazin-3-yl)-2,6-difluoro-3-methylbenzamide
CID 115871247
N-(6-chloropyridazin-3-yl)-3-fluoro-5-methylbenzamide
CID 115666665
3-[(5-methylthiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64529037
N-(5-amino-4-methyl-2-pyridinyl)-5-methylthiophene-2-carboxamide
CID 61292956
N-(3-chlorophenyl)-5-methylthiophene-2-carboxamide
CID 4810608
N-(6-chloropyridazin-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104624330

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyridazin-3-yl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(6-chloropyridazin-3-yl)-5-methylthiophene-2-carboxamide (CID 115608643) is N-(6-chloropyridazin-3-yl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(6-chloropyridazin-3-yl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(6-chloropyridazin-3-yl)-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)Nc2ccc(Cl)nn2)s1.
What is the InChIKey of N-(6-chloropyridazin-3-yl)-5-methylthiophene-2-carboxamide?
The InChIKey is GPQKRKZVWSMGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3OS/c1-6-2-3-7(16-6)10(15)12-9-5-4-8(11)13-14-9/h2-5H,1H3,(H,12,14,15).
What are the key properties of N-(6-chloropyridazin-3-yl)-5-methylthiophene-2-carboxamide?
N-(6-chloropyridazin-3-yl)-5-methylthiophene-2-carboxamide has a molecular weight of 253.71 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyridazin-3-yl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 115608643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).