(6-cyanopyridazin-3-yl) 2-(4-propan-2-yl-1,3-thiazol-2-yl)acetate

C13H12N4O2S — CID 139547984

IUPAC(6-cyanopyridazin-3-yl) 2-(4-propan-2-yl-1,3-thiazol-2-yl)acetate
SMILESCC(C)c1csc(CC(=O)Oc2ccc(C#N)nn2)n1
InChIInChI=1S/C13H12N4O2S/c1-8(2)10-7-20-12(15-10)5-13(18)19-11-4-3-9(6-14)16-17-11/h3-4,7-8H,5H2,1-2H3
InChIKeyBUNGCSCBCKNVHD-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.08
Rot. Bonds4

About (6-cyanopyridazin-3-yl) 2-(4-propan-2-yl-1,3-thiazol-2-yl)acetate

(6-cyanopyridazin-3-yl) 2-(4-propan-2-yl-1,3-thiazol-2-yl)acetate (PubChem CID 139547984) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is (6-cyanopyridazin-3-yl) 2-(4-propan-2-yl-1,3-thiazol-2-yl)acetate.

Molecular Properties

Compound Name(6-cyanopyridazin-3-yl) 2-(4-propan-2-yl-1,3-thiazol-2-yl)acetate
PubChem CID139547984
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name(6-cyanopyridazin-3-yl) 2-(4-propan-2-yl-1,3-thiazol-2-yl)acetate
SMILESCC(C)c1csc(CC(=O)Oc2ccc(C#N)nn2)n1
InChIInChI=1S/C13H12N4O2S/c1-8(2)10-7-20-12(15-10)5-13(18)19-11-4-3-9(6-14)16-17-11/h3-4,7-8H,5H2,1-2H3
InChIKeyBUNGCSCBCKNVHD-UHFFFAOYSA-N
XLogP2.08
TPSA88.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(6-cyanopyridazin-3-yl) (4-propan-2-yl-1,3-thiazol-2-yl)methanesulfonate
CID 139548248
(6-cyanopyridazin-3-yl) N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
CID 139547985
(6-cyanopyridazin-3-yl) 2-(3-fluoro-4-propan-2-ylphenyl)acetate
CID 139547786
methyl 2-[4-(1-aminoethyl)-1,3-thiazol-2-yl]acetate
CID 115021994
2-(4-propan-2-yl-1,3-thiazol-2-yl)acetonitrile
CID 43119799
(4-propan-2-yl-1,3-thiazol-2-yl)methanol
CID 10678505
2-(furan-2-yl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 110484643
2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)pentan-3-one
CID 70064429
2-(bromomethyl)-4-propan-2-yl-1,3-thiazole
CID 22063597
2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole
CID 22949810
(2S)-2-amino-3,3-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide
CID 119897401
2-amino-2-phenyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride
CID 119897370

Frequently Asked Questions

What is the IUPAC name of (6-cyanopyridazin-3-yl) 2-(4-propan-2-yl-1,3-thiazol-2-yl)acetate?
The IUPAC name of (6-cyanopyridazin-3-yl) 2-(4-propan-2-yl-1,3-thiazol-2-yl)acetate (CID 139547984) is (6-cyanopyridazin-3-yl) 2-(4-propan-2-yl-1,3-thiazol-2-yl)acetate.
What is the SMILES notation for (6-cyanopyridazin-3-yl) 2-(4-propan-2-yl-1,3-thiazol-2-yl)acetate?
The canonical SMILES for (6-cyanopyridazin-3-yl) 2-(4-propan-2-yl-1,3-thiazol-2-yl)acetate is CC(C)c1csc(CC(=O)Oc2ccc(C#N)nn2)n1.
What is the InChIKey of (6-cyanopyridazin-3-yl) 2-(4-propan-2-yl-1,3-thiazol-2-yl)acetate?
The InChIKey is BUNGCSCBCKNVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-8(2)10-7-20-12(15-10)5-13(18)19-11-4-3-9(6-14)16-17-11/h3-4,7-8H,5H2,1-2H3.
What are the key properties of (6-cyanopyridazin-3-yl) 2-(4-propan-2-yl-1,3-thiazol-2-yl)acetate?
(6-cyanopyridazin-3-yl) 2-(4-propan-2-yl-1,3-thiazol-2-yl)acetate has a molecular weight of 288.33 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-cyanopyridazin-3-yl) 2-(4-propan-2-yl-1,3-thiazol-2-yl)acetate is sourced from PubChem (CID 139547984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).