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

C15H20N6O2S — CID 126913339

IUPACN-(5-methyl-1,3-thiazol-2-yl)-4-[2-(6-oxopyridazin-1-yl)ethyl]piperazine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CCN(CCn3ncccc3=O)CC2)s1
InChIInChI=1S/C15H20N6O2S/c1-12-11-16-14(24-12)18-15(23)20-8-5-19(6-9-20)7-10-21-13(22)3-2-4-17-21/h2-4,11H,5-10H2,1H3,(H,16,18,23)
InChIKeyIFTPTVMDWAGNPW-UHFFFAOYSA-N
MW348.43 g/mol
LogP0.86
Rot. Bonds4

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

N-(5-methyl-1,3-thiazol-2-yl)-4-[2-(6-oxopyridazin-1-yl)ethyl]piperazine-1-carboxamide (PubChem CID 126913339) has the molecular formula C15H20N6O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-4-[2-(6-oxopyridazin-1-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-4-[2-(6-oxopyridazin-1-yl)ethyl]piperazine-1-carboxamide
PubChem CID126913339
Molecular FormulaC15H20N6O2S
Molecular Weight348.43 g/mol
Exact Mass348.14
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-4-[2-(6-oxopyridazin-1-yl)ethyl]piperazine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CCN(CCn3ncccc3=O)CC2)s1
InChIInChI=1S/C15H20N6O2S/c1-12-11-16-14(24-12)18-15(23)20-8-5-19(6-9-20)7-10-21-13(22)3-2-4-17-21/h2-4,11H,5-10H2,1H3,(H,16,18,23)
InChIKeyIFTPTVMDWAGNPW-UHFFFAOYSA-N
XLogP0.86
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 126913608
4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
CID 162643725
N-[(2S)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 71964489
N-(5-methyl-1,3-thiazol-2-yl)-4-quinazolin-6-ylpiperazine-1-carboxamide
CID 126894221
1-(5-methyl-1,3-thiazol-2-yl)-3-[4-(6-oxopyridazin-1-yl)cyclohexyl]urea
CID 126934316
4-benzylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 119105567
3-[4-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]piperazin-1-yl]propanoic acid
CID 61205805
4-(3,5-dioxomorpholin-4-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 138988958
3-(3-chloro-4-methylanilino)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-1-carboxamide
CID 162672664
4-(6-cyano-5-methyl-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 162675723
1-(5-methyl-1,3-thiazol-2-yl)-3-[4-(6-oxopyridazin-1-yl)oxolan-3-yl]urea
CID 126938653
2-[2-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913336

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-4-[2-(6-oxopyridazin-1-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-4-[2-(6-oxopyridazin-1-yl)ethyl]piperazine-1-carboxamide (CID 126913339) is N-(5-methyl-1,3-thiazol-2-yl)-4-[2-(6-oxopyridazin-1-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-4-[2-(6-oxopyridazin-1-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-4-[2-(6-oxopyridazin-1-yl)ethyl]piperazine-1-carboxamide is Cc1cnc(NC(=O)N2CCN(CCn3ncccc3=O)CC2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-4-[2-(6-oxopyridazin-1-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is IFTPTVMDWAGNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2S/c1-12-11-16-14(24-12)18-15(23)20-8-5-19(6-9-20)7-10-21-13(22)3-2-4-17-21/h2-4,11H,5-10H2,1H3,(H,16,18,23).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-4-[2-(6-oxopyridazin-1-yl)ethyl]piperazine-1-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)-4-[2-(6-oxopyridazin-1-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-4-[2-(6-oxopyridazin-1-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 126913339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).