N-(4-bromo-2,6-dimethylphenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

C18H16BrN3OS — CID 100801716

IUPACN-(4-bromo-2,6-dimethylphenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1cc(Br)cc(C)c1NC(=O)c1sc(-c2cccnc2)nc1C
InChIInChI=1S/C18H16BrN3OS/c1-10-7-14(19)8-11(2)15(10)22-17(23)16-12(3)21-18(24-16)13-5-4-6-20-9-13/h4-9H,1-3H3,(H,22,23)
InChIKeyWGBXNILCARBJAN-UHFFFAOYSA-N
MW402.32 g/mol
LogP5.15
Rot. Bonds3

About N-(4-bromo-2,6-dimethylphenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

N-(4-bromo-2,6-dimethylphenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 100801716) has the molecular formula C18H16BrN3OS and a molecular weight of 402.32 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID100801716
Molecular FormulaC18H16BrN3OS
Molecular Weight402.32 g/mol
Exact Mass401.02
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1cc(Br)cc(C)c1NC(=O)c1sc(-c2cccnc2)nc1C
InChIInChI=1S/C18H16BrN3OS/c1-10-7-14(19)8-11(2)15(10)22-17(23)16-12(3)21-18(24-16)13-5-4-6-20-9-13/h4-9H,1-3H3,(H,22,23)
InChIKeyWGBXNILCARBJAN-UHFFFAOYSA-N
XLogP5.15
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.32
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(1,2-benzothiazol-5-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
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4-methyl-2-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-5-carboxamide
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N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 29092301
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CID 19616981
4-methyl-N-[(2S)-pentan-2-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
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4-methyl-2-pyridin-3-yl-N-(1-pyrimidin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 58236230
4-methyl-2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
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4-methyl-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 46971817
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
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N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 100801716) is N-(4-bromo-2,6-dimethylphenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is Cc1cc(Br)cc(C)c1NC(=O)c1sc(-c2cccnc2)nc1C.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is WGBXNILCARBJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3OS/c1-10-7-14(19)8-11(2)15(10)22-17(23)16-12(3)21-18(24-16)13-5-4-6-20-9-13/h4-9H,1-3H3,(H,22,23).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
N-(4-bromo-2,6-dimethylphenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 402.32 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 100801716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).