6-(2-chlorophenyl)sulfanyl-N-[1-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]pyridazine-3-carboxamide

C18H18ClN5OS — CID 166218912

IUPAC6-(2-chlorophenyl)sulfanyl-N-[1-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]pyridazine-3-carboxamide
SMILESCc1nc(C(C)NC(=O)c2ccc(Sc3ccccc3Cl)nn2)[nH]c1C
InChIInChI=1S/C18H18ClN5OS/c1-10-11(2)21-17(20-10)12(3)22-18(25)14-8-9-16(24-23-14)26-15-7-5-4-6-13(15)19/h4-9,12H,1-3H3,(H,20,21)(H,22,25)
InChIKeyYSNGGCMSWKDOFL-UHFFFAOYSA-N
MW387.90 g/mol
LogP4.11
Rot. Bonds5

About 6-(2-chlorophenyl)sulfanyl-N-[1-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]pyridazine-3-carboxamide

6-(2-chlorophenyl)sulfanyl-N-[1-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]pyridazine-3-carboxamide (PubChem CID 166218912) has the molecular formula C18H18ClN5OS and a molecular weight of 387.90 g/mol. Its IUPAC name is 6-(2-chlorophenyl)sulfanyl-N-[1-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-chlorophenyl)sulfanyl-N-[1-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]pyridazine-3-carboxamide
PubChem CID166218912
Molecular FormulaC18H18ClN5OS
Molecular Weight387.90 g/mol
Exact Mass387.09
IUPAC Name6-(2-chlorophenyl)sulfanyl-N-[1-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]pyridazine-3-carboxamide
SMILESCc1nc(C(C)NC(=O)c2ccc(Sc3ccccc3Cl)nn2)[nH]c1C
InChIInChI=1S/C18H18ClN5OS/c1-10-11(2)21-17(20-10)12(3)22-18(25)14-8-9-16(24-23-14)26-15-7-5-4-6-13(15)19/h4-9,12H,1-3H3,(H,20,21)(H,22,25)
InChIKeyYSNGGCMSWKDOFL-UHFFFAOYSA-N
XLogP4.11
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.90
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(2-chlorophenyl)sulfanyl-N-[1-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]pyridazine-3-carboxamide with MolForge

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Related Compounds

N-(3-aminobutyl)-6-(2-chlorophenyl)sulfanylpyridazine-3-carboxamide;hydrochloride
CID 119498507
4-[[6-(2-chlorophenyl)sulfanylpyridazine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119357320
6-(2-chlorophenyl)sulfanyl-N-(3-methylpiperidin-4-yl)pyridazine-3-carboxamide;hydrochloride
CID 120557782
6-(2-chlorophenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)pyridazine-3-carboxamide
CID 119513560
N-[2-(3-amino-3-oxopropoxy)phenyl]-6-(2-chlorophenyl)sulfanylpyridazine-3-carboxamide
CID 71871538
6-chloro-N-[1-(2-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 61042386
azetidin-1-yl-[6-(2-chlorophenyl)sulfanylpyridazin-3-yl]methanone
CID 71867029
6-(2-chlorophenyl)sulfanyl-N-(1-methyl-2-oxopiperidin-4-yl)pyridazine-3-carboxamide
CID 102562430
[6-(2-chlorophenyl)sulfanylpyridazin-3-yl]-(1,4-diazepan-1-yl)methanone
CID 119417617
N-[1-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166245356
[6-(2-chlorophenyl)sulfanylpyridazin-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492330
[2-(aminomethyl)pyrrolidin-1-yl]-[6-(2-chlorophenyl)sulfanylpyridazin-3-yl]methanone;hydrochloride
CID 119633725

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)sulfanyl-N-[1-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(2-chlorophenyl)sulfanyl-N-[1-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]pyridazine-3-carboxamide (CID 166218912) is 6-(2-chlorophenyl)sulfanyl-N-[1-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-chlorophenyl)sulfanyl-N-[1-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-chlorophenyl)sulfanyl-N-[1-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]pyridazine-3-carboxamide is Cc1nc(C(C)NC(=O)c2ccc(Sc3ccccc3Cl)nn2)[nH]c1C.
What is the InChIKey of 6-(2-chlorophenyl)sulfanyl-N-[1-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]pyridazine-3-carboxamide?
The InChIKey is YSNGGCMSWKDOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5OS/c1-10-11(2)21-17(20-10)12(3)22-18(25)14-8-9-16(24-23-14)26-15-7-5-4-6-13(15)19/h4-9,12H,1-3H3,(H,20,21)(H,22,25).
What are the key properties of 6-(2-chlorophenyl)sulfanyl-N-[1-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]pyridazine-3-carboxamide?
6-(2-chlorophenyl)sulfanyl-N-[1-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]pyridazine-3-carboxamide has a molecular weight of 387.90 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)sulfanyl-N-[1-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 166218912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).