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

C20H20N4OS2 — CID 70696691

IUPACN-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylpropanamide
SMILESCc1csc(N(C(=O)C(C)Sc2ccc(-c3ccccc3)nn2)C2CC2)n1
InChIInChI=1S/C20H20N4OS2/c1-13-12-26-20(21-13)24(16-8-9-16)19(25)14(2)27-18-11-10-17(22-23-18)15-6-4-3-5-7-15/h3-7,10-12,14,16H,8-9H2,1-2H3
InChIKeyPUVLCLUXGUVHNN-UHFFFAOYSA-N
MW396.54 g/mol
LogP4.58
Rot. Bonds6

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

N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylpropanamide (PubChem CID 70696691) has the molecular formula C20H20N4OS2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylpropanamide
PubChem CID70696691
Molecular FormulaC20H20N4OS2
Molecular Weight396.54 g/mol
Exact Mass396.11
IUPAC NameN-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylpropanamide
SMILESCc1csc(N(C(=O)C(C)Sc2ccc(-c3ccccc3)nn2)C2CC2)n1
InChIInChI=1S/C20H20N4OS2/c1-13-12-26-20(21-13)24(16-8-9-16)19(25)14(2)27-18-11-10-17(22-23-18)15-6-4-3-5-7-15/h3-7,10-12,14,16H,8-9H2,1-2H3
InChIKeyPUVLCLUXGUVHNN-UHFFFAOYSA-N
XLogP4.58
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylpropanamide?
The IUPAC name of N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylpropanamide (CID 70696691) is N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylpropanamide.
What is the SMILES notation for N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylpropanamide?
The canonical SMILES for N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylpropanamide is Cc1csc(N(C(=O)C(C)Sc2ccc(-c3ccccc3)nn2)C2CC2)n1.
What is the InChIKey of N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylpropanamide?
The InChIKey is PUVLCLUXGUVHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS2/c1-13-12-26-20(21-13)24(16-8-9-16)19(25)14(2)27-18-11-10-17(22-23-18)15-6-4-3-5-7-15/h3-7,10-12,14,16H,8-9H2,1-2H3.
What are the key properties of N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylpropanamide?
N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylpropanamide has a molecular weight of 396.54 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylpropanamide is sourced from PubChem (CID 70696691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).