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

C19H31Cl2N5O2S — CID 119598676

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-4-methyl-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)NC(C)(CN)CC(C)C.Cl.Cl
InChIInChI=1S/C19H29N5O2S.2ClH/c1-10(2)8-19(6,9-20)22-16(25)15-13(5)21-17(27-15)14-11(3)12(4)23-24(7)18(14)26;;/h10H,8-9,20H2,1-7H3,(H,22,25);2*1H
InChIKeyKWKIINYULLDADZ-UHFFFAOYSA-N
MW464.46 g/mol
LogP3.17
Rot. Bonds6

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

N-(1-amino-2,4-dimethylpentan-2-yl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 119598676) has the molecular formula C19H31Cl2N5O2S and a molecular weight of 464.46 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID119598676
Molecular FormulaC19H31Cl2N5O2S
Molecular Weight464.46 g/mol
Exact Mass463.16
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-methyl-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)NC(C)(CN)CC(C)C.Cl.Cl
InChIInChI=1S/C19H29N5O2S.2ClH/c1-10(2)8-19(6,9-20)22-16(25)15-13(5)21-17(27-15)14-11(3)12(4)23-24(7)18(14)26;;/h10H,8-9,20H2,1-7H3,(H,22,25);2*1H
InChIKeyKWKIINYULLDADZ-UHFFFAOYSA-N
XLogP3.17
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.46
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(1-amino-2,4-dimethylpentan-2-yl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride (CID 119598676) is N-(1-amino-2,4-dimethylpentan-2-yl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-4-methyl-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)NC(C)(CN)CC(C)C.Cl.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is KWKIINYULLDADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2S.2ClH/c1-10(2)8-19(6,9-20)22-16(25)15-13(5)21-17(27-15)14-11(3)12(4)23-24(7)18(14)26;;/h10H,8-9,20H2,1-7H3,(H,22,25);2*1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 464.46 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119598676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).