3-methyl-N-[4-(tetrazolo[1,5-b]pyridazin-6-yloxy)phenyl]thiophene-2-carboxamide

C16H12N6O2S — CID 133286212

IUPAC3-methyl-N-[4-(tetrazolo[1,5-b]pyridazin-6-yloxy)phenyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccc(Oc2ccc3nnnn3n2)cc1
InChIInChI=1S/C16H12N6O2S/c1-10-8-9-25-15(10)16(23)17-11-2-4-12(5-3-11)24-14-7-6-13-18-20-21-22(13)19-14/h2-9H,1H3,(H,17,23)
InChIKeyAROLVEADCRSJKF-UHFFFAOYSA-N
MW352.38 g/mol
LogP2.93
Rot. Bonds4

About 3-methyl-N-[4-(tetrazolo[1,5-b]pyridazin-6-yloxy)phenyl]thiophene-2-carboxamide

3-methyl-N-[4-(tetrazolo[1,5-b]pyridazin-6-yloxy)phenyl]thiophene-2-carboxamide (PubChem CID 133286212) has the molecular formula C16H12N6O2S and a molecular weight of 352.38 g/mol. Its IUPAC name is 3-methyl-N-[4-(tetrazolo[1,5-b]pyridazin-6-yloxy)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-(tetrazolo[1,5-b]pyridazin-6-yloxy)phenyl]thiophene-2-carboxamide
PubChem CID133286212
Molecular FormulaC16H12N6O2S
Molecular Weight352.38 g/mol
Exact Mass352.07
IUPAC Name3-methyl-N-[4-(tetrazolo[1,5-b]pyridazin-6-yloxy)phenyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccc(Oc2ccc3nnnn3n2)cc1
InChIInChI=1S/C16H12N6O2S/c1-10-8-9-25-15(10)16(23)17-11-2-4-12(5-3-11)24-14-7-6-13-18-20-21-22(13)19-14/h2-9H,1H3,(H,17,23)
InChIKeyAROLVEADCRSJKF-UHFFFAOYSA-N
XLogP2.93
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]-3-methylthiophene-2-carboxamide
CID 133286237
N-[4-[6-(4-fluorophenyl)pyridazin-3-yl]oxyphenyl]-3-methylthiophene-2-carboxamide
CID 133286232
N-(4-hydroxyphenyl)-3-methylthiophene-2-carboxamide
CID 28739515
N-[6-[3-(2,2-dimethylpropanoylamino)phenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-methylthiophene-2-carboxamide
CID 59175501
4-(tetrazolo[1,5-b]pyridazin-6-yloxy)aniline
CID 78984474
N-(4-iodophenyl)-3-methylthiophene-2-carboxamide
CID 7927248
N-(4-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 26087540
3-methyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 30388319
N-[6-[3-[(3-fluorobenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-methylthiophene-2-carboxamide
CID 59175242
N-methyl-1-[4-(tetrazolo[1,5-b]pyridazin-6-yloxy)phenyl]methanamine
CID 106486859
3-methyl-N-[6-[3-[(3-phosphanylbenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]thiophene-2-carboxamide
CID 143620257
3-methyl-N-[4-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxy]phenyl]thiophene-2-carboxamide
CID 133286226

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(tetrazolo[1,5-b]pyridazin-6-yloxy)phenyl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[4-(tetrazolo[1,5-b]pyridazin-6-yloxy)phenyl]thiophene-2-carboxamide (CID 133286212) is 3-methyl-N-[4-(tetrazolo[1,5-b]pyridazin-6-yloxy)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-(tetrazolo[1,5-b]pyridazin-6-yloxy)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[4-(tetrazolo[1,5-b]pyridazin-6-yloxy)phenyl]thiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1ccc(Oc2ccc3nnnn3n2)cc1.
What is the InChIKey of 3-methyl-N-[4-(tetrazolo[1,5-b]pyridazin-6-yloxy)phenyl]thiophene-2-carboxamide?
The InChIKey is AROLVEADCRSJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O2S/c1-10-8-9-25-15(10)16(23)17-11-2-4-12(5-3-11)24-14-7-6-13-18-20-21-22(13)19-14/h2-9H,1H3,(H,17,23).
What are the key properties of 3-methyl-N-[4-(tetrazolo[1,5-b]pyridazin-6-yloxy)phenyl]thiophene-2-carboxamide?
3-methyl-N-[4-(tetrazolo[1,5-b]pyridazin-6-yloxy)phenyl]thiophene-2-carboxamide has a molecular weight of 352.38 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(tetrazolo[1,5-b]pyridazin-6-yloxy)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 133286212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).