N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylpropanamide

C19H20N4OS2 — CID 70684158

IUPACN-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylpropanamide
SMILESCCN(C(=O)C(C)Sc1ccc(-c2ccccc2)nn1)c1nc(C)cs1
InChIInChI=1S/C19H20N4OS2/c1-4-23(19-20-13(2)12-25-19)18(24)14(3)26-17-11-10-16(21-22-17)15-8-6-5-7-9-15/h5-12,14H,4H2,1-3H3
InChIKeyRWSYSAAVXLHINN-UHFFFAOYSA-N
MW384.53 g/mol
LogP4.44
Rot. Bonds6

About N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylpropanamide

N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylpropanamide (PubChem CID 70684158) has the molecular formula C19H20N4OS2 and a molecular weight of 384.53 g/mol. Its IUPAC name is N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylpropanamide
PubChem CID70684158
Molecular FormulaC19H20N4OS2
Molecular Weight384.53 g/mol
Exact Mass384.11
IUPAC NameN-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylpropanamide
SMILESCCN(C(=O)C(C)Sc1ccc(-c2ccccc2)nn1)c1nc(C)cs1
InChIInChI=1S/C19H20N4OS2/c1-4-23(19-20-13(2)12-25-19)18(24)14(3)26-17-11-10-16(21-22-17)15-8-6-5-7-9-15/h5-12,14H,4H2,1-3H3
InChIKeyRWSYSAAVXLHINN-UHFFFAOYSA-N
XLogP4.44
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylpropanamide?
The IUPAC name of N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylpropanamide (CID 70684158) is N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylpropanamide.
What is the SMILES notation for N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylpropanamide?
The canonical SMILES for N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylpropanamide is CCN(C(=O)C(C)Sc1ccc(-c2ccccc2)nn1)c1nc(C)cs1.
What is the InChIKey of N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylpropanamide?
The InChIKey is RWSYSAAVXLHINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS2/c1-4-23(19-20-13(2)12-25-19)18(24)14(3)26-17-11-10-16(21-22-17)15-8-6-5-7-9-15/h5-12,14H,4H2,1-3H3.
What are the key properties of N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylpropanamide?
N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylpropanamide has a molecular weight of 384.53 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylpropanamide is sourced from PubChem (CID 70684158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).