N-methyl-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide

C16H22N4O2S — CID 91835421

IUPACN-methyl-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide
SMILESCN(Cc1nc2c(s1)CCCC2)C(=O)CCC1=NNC(=O)CC1
InChIInChI=1S/C16H22N4O2S/c1-20(10-15-17-12-4-2-3-5-13(12)23-15)16(22)9-7-11-6-8-14(21)19-18-11/h2-10H2,1H3,(H,19,21)
InChIKeyKOOWWMHUBNQWSR-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.03
Rot. Bonds5

About N-methyl-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide

N-methyl-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide (PubChem CID 91835421) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is N-methyl-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide
PubChem CID91835421
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC NameN-methyl-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide
SMILESCN(Cc1nc2c(s1)CCCC2)C(=O)CCC1=NNC(=O)CC1
InChIInChI=1S/C16H22N4O2S/c1-20(10-15-17-12-4-2-3-5-13(12)23-15)16(22)9-7-11-6-8-14(21)19-18-11/h2-10H2,1H3,(H,19,21)
InChIKeyKOOWWMHUBNQWSR-UHFFFAOYSA-N
XLogP2.03
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide?
The IUPAC name of N-methyl-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide (CID 91835421) is N-methyl-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide.
What is the SMILES notation for N-methyl-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide?
The canonical SMILES for N-methyl-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide is CN(Cc1nc2c(s1)CCCC2)C(=O)CCC1=NNC(=O)CC1.
What is the InChIKey of N-methyl-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide?
The InChIKey is KOOWWMHUBNQWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-20(10-15-17-12-4-2-3-5-13(12)23-15)16(22)9-7-11-6-8-14(21)19-18-11/h2-10H2,1H3,(H,19,21).
What are the key properties of N-methyl-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide?
N-methyl-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide has a molecular weight of 334.45 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide is sourced from PubChem (CID 91835421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).