2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide

C17H23N5O2S — CID 72931370

IUPAC2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide
SMILESCN(Cc1nc2c(s1)CCCC2)C(=O)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C17H23N5O2S/c1-20(2)12-8-16(23)22(18-9-12)11-17(24)21(3)10-15-19-13-6-4-5-7-14(13)25-15/h8-9H,4-7,10-11H2,1-3H3
InChIKeyAWOHYYYUQQJTMG-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.30
Rot. Bonds5

About 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide

2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide (PubChem CID 72931370) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide
PubChem CID72931370
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide
SMILESCN(Cc1nc2c(s1)CCCC2)C(=O)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C17H23N5O2S/c1-20(2)12-8-16(23)22(18-9-12)11-17(24)21(3)10-15-19-13-6-4-5-7-14(13)25-15/h8-9H,4-7,10-11H2,1-3H3
InChIKeyAWOHYYYUQQJTMG-UHFFFAOYSA-N
XLogP1.30
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide (CID 72931370) is 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide is CN(Cc1nc2c(s1)CCCC2)C(=O)Cn1ncc(N(C)C)cc1=O.
What is the InChIKey of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide?
The InChIKey is AWOHYYYUQQJTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-20(2)12-8-16(23)22(18-9-12)11-17(24)21(3)10-15-19-13-6-4-5-7-14(13)25-15/h8-9H,4-7,10-11H2,1-3H3.
What are the key properties of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide?
2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide has a molecular weight of 361.47 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide is sourced from PubChem (CID 72931370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).