5-chloro-N-[6-[3-methylsulfanyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide

C16H10ClF3N4OS2 — CID 178030308

IUPAC5-chloro-N-[6-[3-methylsulfanyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide
SMILESCSc1cc(-c2ccc(NC(=O)c3ncsc3Cl)nn2)ccc1C(F)(F)F
InChIInChI=1S/C16H10ClF3N4OS2/c1-26-11-6-8(2-3-9(11)16(18,19)20)10-4-5-12(24-23-10)22-15(25)13-14(17)27-7-21-13/h2-7H,1H3,(H,22,24,25)
InChIKeyUFHOPYUGNKTGAN-UHFFFAOYSA-N
MW430.86 g/mol
LogP5.25
Rot. Bonds4

About 5-chloro-N-[6-[3-methylsulfanyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide

5-chloro-N-[6-[3-methylsulfanyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 178030308) has the molecular formula C16H10ClF3N4OS2 and a molecular weight of 430.86 g/mol. Its IUPAC name is 5-chloro-N-[6-[3-methylsulfanyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[6-[3-methylsulfanyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID178030308
Molecular FormulaC16H10ClF3N4OS2
Molecular Weight430.86 g/mol
Exact Mass429.99
IUPAC Name5-chloro-N-[6-[3-methylsulfanyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide
SMILESCSc1cc(-c2ccc(NC(=O)c3ncsc3Cl)nn2)ccc1C(F)(F)F
InChIInChI=1S/C16H10ClF3N4OS2/c1-26-11-6-8(2-3-9(11)16(18,19)20)10-4-5-12(24-23-10)22-15(25)13-14(17)27-7-21-13/h2-7H,1H3,(H,22,24,25)
InChIKeyUFHOPYUGNKTGAN-UHFFFAOYSA-N
XLogP5.25
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.86
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide
CID 178030422
N-[6-[3-acetamido-4-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide
CID 178030268
N-[6-[4-acetamido-3-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide
CID 178030400
6-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpyridazin-3-amine
CID 107290472
N-[6-[4-fluoro-3-(methylcarbamoyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide
CID 178030289
3-fluoro-N-[6-[3-(trifluoromethoxy)phenyl]pyridazin-3-yl]pyridine-2-carboxamide
CID 178030034
3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridazine
CID 107290372
N-(6-phenylpyridazin-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122143388
4-fluoro-2-methylsulfanyl-1-(trifluoromethyl)benzene
CID 129162706
N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 118630380
4-fluoro-N-pyridazin-3-yl-3-(trifluoromethyl)benzamide
CID 115635769
2-bromo-N-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)benzamide
CID 115744112

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[6-[3-methylsulfanyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-chloro-N-[6-[3-methylsulfanyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide (CID 178030308) is 5-chloro-N-[6-[3-methylsulfanyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[6-[3-methylsulfanyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-[6-[3-methylsulfanyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide is CSc1cc(-c2ccc(NC(=O)c3ncsc3Cl)nn2)ccc1C(F)(F)F.
What is the InChIKey of 5-chloro-N-[6-[3-methylsulfanyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is UFHOPYUGNKTGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N4OS2/c1-26-11-6-8(2-3-9(11)16(18,19)20)10-4-5-12(24-23-10)22-15(25)13-14(17)27-7-21-13/h2-7H,1H3,(H,22,24,25).
What are the key properties of 5-chloro-N-[6-[3-methylsulfanyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide?
5-chloro-N-[6-[3-methylsulfanyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 430.86 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[6-[3-methylsulfanyl-4-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 178030308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).