4-(2,6-dimethylphenyl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide

C18H18N4OS — CID 87864755

IUPAC4-(2,6-dimethylphenyl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(Nc2nc(-c3c(C)cccc3C)c(C(N)=O)s2)n1
InChIInChI=1S/C18H18N4OS/c1-10-6-4-7-11(2)14(10)15-16(17(19)23)24-18(22-15)21-13-9-5-8-12(3)20-13/h4-9H,1-3H3,(H2,19,23)(H,20,21,22)
InChIKeyRBVVIWGAXKTWOP-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.97
Rot. Bonds4

About 4-(2,6-dimethylphenyl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide

4-(2,6-dimethylphenyl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 87864755) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 4-(2,6-dimethylphenyl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-(2,6-dimethylphenyl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID87864755
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name4-(2,6-dimethylphenyl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(Nc2nc(-c3c(C)cccc3C)c(C(N)=O)s2)n1
InChIInChI=1S/C18H18N4OS/c1-10-6-4-7-11(2)14(10)15-16(17(19)23)24-18(22-15)21-13-9-5-8-12(3)20-13/h4-9H,1-3H3,(H2,19,23)(H,20,21,22)
InChIKeyRBVVIWGAXKTWOP-UHFFFAOYSA-N
XLogP3.97
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylphenyl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-(2,6-dimethylphenyl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide (CID 87864755) is 4-(2,6-dimethylphenyl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-(2,6-dimethylphenyl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-(2,6-dimethylphenyl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide is Cc1cccc(Nc2nc(-c3c(C)cccc3C)c(C(N)=O)s2)n1.
What is the InChIKey of 4-(2,6-dimethylphenyl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is RBVVIWGAXKTWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-10-6-4-7-11(2)14(10)15-16(17(19)23)24-18(22-15)21-13-9-5-8-12(3)20-13/h4-9H,1-3H3,(H2,19,23)(H,20,21,22).
What are the key properties of 4-(2,6-dimethylphenyl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide?
4-(2,6-dimethylphenyl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 338.44 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylphenyl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 87864755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).