N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide

C19H18N4O2S — CID 122277905

IUPACN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(NCCn1nc(C2CC2)ccc1=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C19H18N4O2S/c24-17-9-8-15(13-6-7-13)22-23(17)11-10-20-18(25)16-12-26-19(21-16)14-4-2-1-3-5-14/h1-5,8-9,12-13H,6-7,10-11H2,(H,20,25)
InChIKeyHJHMEONMHYXIRB-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.67
Rot. Bonds6

About N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide

N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 122277905) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID122277905
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC NameN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(NCCn1nc(C2CC2)ccc1=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C19H18N4O2S/c24-17-9-8-15(13-6-7-13)22-23(17)11-10-20-18(25)16-12-26-19(21-16)14-4-2-1-3-5-14/h1-5,8-9,12-13H,6-7,10-11H2,(H,20,25)
InChIKeyHJHMEONMHYXIRB-UHFFFAOYSA-N
XLogP2.67
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide (CID 122277905) is N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide is O=C(NCCn1nc(C2CC2)ccc1=O)c1csc(-c2ccccc2)n1.
What is the InChIKey of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is HJHMEONMHYXIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c24-17-9-8-15(13-6-7-13)22-23(17)11-10-20-18(25)16-12-26-19(21-16)14-4-2-1-3-5-14/h1-5,8-9,12-13H,6-7,10-11H2,(H,20,25).
What are the key properties of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 366.45 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 122277905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).