2-methyl-N-(6-methyl-2-pyridinyl)-5-(3-methylsulfonylanilino)-1,3-thiazole-4-carboxamide

C18H18N4O3S2 — CID 91265426

IUPAC2-methyl-N-(6-methyl-2-pyridinyl)-5-(3-methylsulfonylanilino)-1,3-thiazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2nc(C)sc2Nc2cccc(S(C)(=O)=O)c2)n1
InChIInChI=1S/C18H18N4O3S2/c1-11-6-4-9-15(19-11)22-17(23)16-18(26-12(2)20-16)21-13-7-5-8-14(10-13)27(3,24)25/h4-10,21H,1-3H3,(H,19,22,23)
InChIKeyRBHLMWFIGIBHNG-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.55
Rot. Bonds5

About 2-methyl-N-(6-methyl-2-pyridinyl)-5-(3-methylsulfonylanilino)-1,3-thiazole-4-carboxamide

2-methyl-N-(6-methyl-2-pyridinyl)-5-(3-methylsulfonylanilino)-1,3-thiazole-4-carboxamide (PubChem CID 91265426) has the molecular formula C18H18N4O3S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-methyl-N-(6-methyl-2-pyridinyl)-5-(3-methylsulfonylanilino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(6-methyl-2-pyridinyl)-5-(3-methylsulfonylanilino)-1,3-thiazole-4-carboxamide
PubChem CID91265426
Molecular FormulaC18H18N4O3S2
Molecular Weight402.50 g/mol
Exact Mass402.08
IUPAC Name2-methyl-N-(6-methyl-2-pyridinyl)-5-(3-methylsulfonylanilino)-1,3-thiazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2nc(C)sc2Nc2cccc(S(C)(=O)=O)c2)n1
InChIInChI=1S/C18H18N4O3S2/c1-11-6-4-9-15(19-11)22-17(23)16-18(26-12(2)20-16)21-13-7-5-8-14(10-13)27(3,24)25/h4-10,21H,1-3H3,(H,19,22,23)
InChIKeyRBHLMWFIGIBHNG-UHFFFAOYSA-N
XLogP3.55
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6-methyl-2-pyridinyl)-5-(3-methylsulfonylanilino)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-(6-methyl-2-pyridinyl)-5-(3-methylsulfonylanilino)-1,3-thiazole-4-carboxamide (CID 91265426) is 2-methyl-N-(6-methyl-2-pyridinyl)-5-(3-methylsulfonylanilino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(6-methyl-2-pyridinyl)-5-(3-methylsulfonylanilino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-(6-methyl-2-pyridinyl)-5-(3-methylsulfonylanilino)-1,3-thiazole-4-carboxamide is Cc1cccc(NC(=O)c2nc(C)sc2Nc2cccc(S(C)(=O)=O)c2)n1.
What is the InChIKey of 2-methyl-N-(6-methyl-2-pyridinyl)-5-(3-methylsulfonylanilino)-1,3-thiazole-4-carboxamide?
The InChIKey is RBHLMWFIGIBHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S2/c1-11-6-4-9-15(19-11)22-17(23)16-18(26-12(2)20-16)21-13-7-5-8-14(10-13)27(3,24)25/h4-10,21H,1-3H3,(H,19,22,23).
What are the key properties of 2-methyl-N-(6-methyl-2-pyridinyl)-5-(3-methylsulfonylanilino)-1,3-thiazole-4-carboxamide?
2-methyl-N-(6-methyl-2-pyridinyl)-5-(3-methylsulfonylanilino)-1,3-thiazole-4-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(6-methyl-2-pyridinyl)-5-(3-methylsulfonylanilino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 91265426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).