4-methyl-N-pyrrolidin-3-yl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride

C16H23Cl2N5O2S — CID 119451531

IUPAC4-methyl-N-pyrrolidin-3-yl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NC1CCNC1.Cl.Cl
InChIInChI=1S/C16H21N5O2S.2ClH/c1-8-9(2)20-21(4)16(23)12(8)15-18-10(3)13(24-15)14(22)19-11-5-6-17-7-11;;/h11,17H,5-7H2,1-4H3,(H,19,22);2*1H
InChIKeyGSRPOTMKXFAUOU-UHFFFAOYSA-N
MW420.37 g/mol
LogP1.76
Rot. Bonds3

About 4-methyl-N-pyrrolidin-3-yl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride

4-methyl-N-pyrrolidin-3-yl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 119451531) has the molecular formula C16H23Cl2N5O2S and a molecular weight of 420.37 g/mol. Its IUPAC name is 4-methyl-N-pyrrolidin-3-yl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-methyl-N-pyrrolidin-3-yl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID119451531
Molecular FormulaC16H23Cl2N5O2S
Molecular Weight420.37 g/mol
Exact Mass419.09
IUPAC Name4-methyl-N-pyrrolidin-3-yl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NC1CCNC1.Cl.Cl
InChIInChI=1S/C16H21N5O2S.2ClH/c1-8-9(2)20-21(4)16(23)12(8)15-18-10(3)13(24-15)14(22)19-11-5-6-17-7-11;;/h11,17H,5-7H2,1-4H3,(H,19,22);2*1H
InChIKeyGSRPOTMKXFAUOU-UHFFFAOYSA-N
XLogP1.76
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.37
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-N-pyrrolidin-3-yl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 119451532
N-cyclopropyl-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 39896132
4-methyl-N-(3-methylpiperidin-4-yl)-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 120556282
N-[2-(aminomethyl)cyclohexyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119610624
2-cyclopropyl-2-[[4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid
CID 119213229
N-(3,3-dimethylbutyl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 34712738
2-(4-chlorophenyl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119452782
2-(5-chlorothiophen-2-yl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119450424
N-(3-ethoxypropyl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 39005134
2,4-dimethyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119425598
N-cycloheptyl-N,4-dimethyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 48529253
2,5,6-trimethyl-4-[4-methyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]pyridazin-3-one
CID 119650128

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-pyrrolidin-3-yl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of 4-methyl-N-pyrrolidin-3-yl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride (CID 119451531) is 4-methyl-N-pyrrolidin-3-yl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for 4-methyl-N-pyrrolidin-3-yl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for 4-methyl-N-pyrrolidin-3-yl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride is Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NC1CCNC1.Cl.Cl.
What is the InChIKey of 4-methyl-N-pyrrolidin-3-yl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is GSRPOTMKXFAUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S.2ClH/c1-8-9(2)20-21(4)16(23)12(8)15-18-10(3)13(24-15)14(22)19-11-5-6-17-7-11;;/h11,17H,5-7H2,1-4H3,(H,19,22);2*1H.
What are the key properties of 4-methyl-N-pyrrolidin-3-yl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride?
4-methyl-N-pyrrolidin-3-yl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 420.37 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-pyrrolidin-3-yl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119451531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).