N-cycloheptyl-N,4-dimethyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide

C20H28N4O2S — CID 48529253

IUPACN-cycloheptyl-N,4-dimethyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N(C)C1CCCCCC1
InChIInChI=1S/C20H28N4O2S/c1-12-13(2)22-24(5)19(25)16(12)18-21-14(3)17(27-18)20(26)23(4)15-10-8-6-7-9-11-15/h15H,6-11H2,1-5H3
InChIKeyQKOOHQNHWANOKT-UHFFFAOYSA-N
MW388.54 g/mol
LogP3.62
Rot. Bonds3

About N-cycloheptyl-N,4-dimethyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide

N-cycloheptyl-N,4-dimethyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 48529253) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is N-cycloheptyl-N,4-dimethyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-N,4-dimethyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID48529253
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC NameN-cycloheptyl-N,4-dimethyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N(C)C1CCCCCC1
InChIInChI=1S/C20H28N4O2S/c1-12-13(2)22-24(5)19(25)16(12)18-21-14(3)17(27-18)20(26)23(4)15-10-8-6-7-9-11-15/h15H,6-11H2,1-5H3
InChIKeyQKOOHQNHWANOKT-UHFFFAOYSA-N
XLogP3.62
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N,4-dimethyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-cycloheptyl-N,4-dimethyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide (CID 48529253) is N-cycloheptyl-N,4-dimethyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-N,4-dimethyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-cycloheptyl-N,4-dimethyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide is Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N(C)C1CCCCCC1.
What is the InChIKey of N-cycloheptyl-N,4-dimethyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is QKOOHQNHWANOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-12-13(2)22-24(5)19(25)16(12)18-21-14(3)17(27-18)20(26)23(4)15-10-8-6-7-9-11-15/h15H,6-11H2,1-5H3.
What are the key properties of N-cycloheptyl-N,4-dimethyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide?
N-cycloheptyl-N,4-dimethyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 388.54 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N,4-dimethyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 48529253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).