2,4-dimethyl-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-1,3-thiazole-5-carboxamide

C15H18N4O2S — CID 100751706

IUPAC2,4-dimethyl-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N[C@@H]2CCc3nn(C)c(=O)cc3C2)s1
InChIInChI=1S/C15H18N4O2S/c1-8-14(22-9(2)16-8)15(21)17-11-4-5-12-10(6-11)7-13(20)19(3)18-12/h7,11H,4-6H2,1-3H3,(H,17,21)/t11-/m1/s1
InChIKeyRRBMFUUFYVPHNZ-LLVKDONJSA-N
MW318.40 g/mol
LogP1.14
Rot. Bonds2

About 2,4-dimethyl-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-1,3-thiazole-5-carboxamide (PubChem CID 100751706) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-1,3-thiazole-5-carboxamide
PubChem CID100751706
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name2,4-dimethyl-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N[C@@H]2CCc3nn(C)c(=O)cc3C2)s1
InChIInChI=1S/C15H18N4O2S/c1-8-14(22-9(2)16-8)15(21)17-11-4-5-12-10(6-11)7-13(20)19(3)18-12/h7,11H,4-6H2,1-3H3,(H,17,21)/t11-/m1/s1
InChIKeyRRBMFUUFYVPHNZ-LLVKDONJSA-N
XLogP1.14
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,4-dimethyl-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-1,3-thiazole-5-carboxamide (CID 100751706) is 2,4-dimethyl-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)N[C@@H]2CCc3nn(C)c(=O)cc3C2)s1.
What is the InChIKey of 2,4-dimethyl-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is RRBMFUUFYVPHNZ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-8-14(22-9(2)16-8)15(21)17-11-4-5-12-10(6-11)7-13(20)19(3)18-12/h7,11H,4-6H2,1-3H3,(H,17,21)/t11-/m1/s1.
What are the key properties of 2,4-dimethyl-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 100751706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).