N,1-dimethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

C16H22N4O2S — CID 129001149

IUPACN,1-dimethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1nc2c(s1)CCCC2CN(C)C(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C16H22N4O2S/c1-10-17-15-11(5-4-6-13(15)23-10)9-19(2)16(22)12-7-8-14(21)20(3)18-12/h11H,4-9H2,1-3H3
InChIKeyTVRQTTIOWXGBEG-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.94
Rot. Bonds3

About N,1-dimethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

N,1-dimethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 129001149) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is N,1-dimethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID129001149
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC NameN,1-dimethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1nc2c(s1)CCCC2CN(C)C(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C16H22N4O2S/c1-10-17-15-11(5-4-6-13(15)23-10)9-19(2)16(22)12-7-8-14(21)20(3)18-12/h11H,4-9H2,1-3H3
InChIKeyTVRQTTIOWXGBEG-UHFFFAOYSA-N
XLogP1.94
TPSA65.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-3-piperidinecarboxamide
CID 72870430
3,4-dimethyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-N-propylpentanamide
CID 71289027
1-[2-(dimethylamino)ethyl]-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-3-piperidinecarboxamide
CID 45182630
1-methyl-6-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-4,5-dihydropyridazine-3-carboxamide
CID 51106287
1-butanoyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 56409310
1-ethyl-6-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-3-piperidinecarboxamide
CID 72839299
1-propionyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-3-piperidinecarboxamide
CID 72842561
3-(1-methyl-3-piperidinyl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propanamide
CID 72926078
N-methyl-3-(6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide
CID 91835421
(3R)-1-ethyl-6-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 97121702
(3S)-1-ethyl-6-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 97121703
(3S)-1-acetyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 97193836

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N,1-dimethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 129001149) is N,1-dimethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is Cc1nc2c(s1)CCCC2CN(C)C(=O)C1=NN(C)C(=O)CC1.
What is the InChIKey of N,1-dimethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is TVRQTTIOWXGBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-10-17-15-11(5-4-6-13(15)23-10)9-19(2)16(22)12-7-8-14(21)20(3)18-12/h11H,4-9H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N,1-dimethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 129001149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).