4-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide

C16H22N6O2S — CID 126913608

IUPAC4-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCc1ccc(=O)n(CCN2CCN(C(=O)Nc3ncc(C)s3)CC2)n1
InChIInChI=1S/C16H22N6O2S/c1-12-3-4-14(23)22(19-12)10-7-20-5-8-21(9-6-20)16(24)18-15-17-11-13(2)25-15/h3-4,11H,5-10H2,1-2H3,(H,17,18,24)
InChIKeyNCJCYFAFWNGGEO-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.17
Rot. Bonds4

About 4-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide

4-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 126913608) has the molecular formula C16H22N6O2S and a molecular weight of 362.46 g/mol. Its IUPAC name is 4-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID126913608
Molecular FormulaC16H22N6O2S
Molecular Weight362.46 g/mol
Exact Mass362.15
IUPAC Name4-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCc1ccc(=O)n(CCN2CCN(C(=O)Nc3ncc(C)s3)CC2)n1
InChIInChI=1S/C16H22N6O2S/c1-12-3-4-14(23)22(19-12)10-7-20-5-8-21(9-6-20)16(24)18-15-17-11-13(2)25-15/h3-4,11H,5-10H2,1-2H3,(H,17,18,24)
InChIKeyNCJCYFAFWNGGEO-UHFFFAOYSA-N
XLogP1.17
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-methyl-1,3-thiazol-2-yl)-4-[2-(6-oxopyridazin-1-yl)ethyl]piperazine-1-carboxamide
CID 126913339
6-methyl-2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913559
6-methyl-2-[2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913810
6-methyl-2-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 126913622
2-[2-(4-benzylpiperazin-1-yl)ethyl]-6-methylpyridazin-3-one
CID 126913839
2-[2-[4-(3,4-dihydro-2H-chromene-3-carbonyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one
CID 126913588
3-[4-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]piperazin-1-yl]propanoic acid
CID 61205805
6-methyl-2-[2-[4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913735
4-(3,5-dioxomorpholin-4-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 138988958
4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
CID 162643725
N-(5-methyl-1,3-thiazol-2-yl)-4-quinazolin-6-ylpiperazine-1-carboxamide
CID 126894221
4-benzylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 119105567

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 126913608) is 4-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is Cc1ccc(=O)n(CCN2CCN(C(=O)Nc3ncc(C)s3)CC2)n1.
What is the InChIKey of 4-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is NCJCYFAFWNGGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2S/c1-12-3-4-14(23)22(19-12)10-7-20-5-8-21(9-6-20)16(24)18-15-17-11-13(2)25-15/h3-4,11H,5-10H2,1-2H3,(H,17,18,24).
What are the key properties of 4-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
4-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 126913608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).