N-[4-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-3H-pyridine-3-carboxamide

C18H15BrN4O3S — CID 73339054

IUPACN-[4-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-3H-pyridine-3-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)Cc1csc(NC(=O)C2C=CC(=O)N=C2)n1
InChIInChI=1S/C18H15BrN4O3S/c1-10-6-12(19)3-4-14(10)22-16(25)7-13-9-27-18(21-13)23-17(26)11-2-5-15(24)20-8-11/h2-6,8-9,11H,7H2,1H3,(H,22,25)(H,21,23,26)
InChIKeyYKADSDQLUROKHY-UHFFFAOYSA-N
MW447.31 g/mol
LogP3.12
Rot. Bonds5

About N-[4-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-3H-pyridine-3-carboxamide

N-[4-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-3H-pyridine-3-carboxamide (PubChem CID 73339054) has the molecular formula C18H15BrN4O3S and a molecular weight of 447.31 g/mol. Its IUPAC name is N-[4-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-3H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-3H-pyridine-3-carboxamide
PubChem CID73339054
Molecular FormulaC18H15BrN4O3S
Molecular Weight447.31 g/mol
Exact Mass446.00
IUPAC NameN-[4-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-3H-pyridine-3-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)Cc1csc(NC(=O)C2C=CC(=O)N=C2)n1
InChIInChI=1S/C18H15BrN4O3S/c1-10-6-12(19)3-4-14(10)22-16(25)7-13-9-27-18(21-13)23-17(26)11-2-5-15(24)20-8-11/h2-6,8-9,11H,7H2,1H3,(H,22,25)(H,21,23,26)
InChIKeyYKADSDQLUROKHY-UHFFFAOYSA-N
XLogP3.12
TPSA100.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.31
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-anilino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide
CID 30940457
6-oxo-N-[4-[2-oxo-2-(quinolin-5-ylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide
CID 75120554
2-(2-amino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide
CID 62795038
N-(4-bromo-2-methylphenyl)-2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211289
6-oxo-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide
CID 73338983
ethyl 4-[[2-[2-[(6-oxo-3H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]piperidine-1-carboxylate
CID 73339075
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31305423
6-oxo-N-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide
CID 73338988
N-(4-bromo-2-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide
CID 43320043
N-(4-bromo-2-methylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51205873
N-(2,4-dimethylphenyl)-2-[2-(ethylamino)-1,3-thiazol-4-yl]acetamide
CID 18525097
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 43029721

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-3H-pyridine-3-carboxamide?
The IUPAC name of N-[4-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-3H-pyridine-3-carboxamide (CID 73339054) is N-[4-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-3H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-3H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-3H-pyridine-3-carboxamide is Cc1cc(Br)ccc1NC(=O)Cc1csc(NC(=O)C2C=CC(=O)N=C2)n1.
What is the InChIKey of N-[4-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-3H-pyridine-3-carboxamide?
The InChIKey is YKADSDQLUROKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O3S/c1-10-6-12(19)3-4-14(10)22-16(25)7-13-9-27-18(21-13)23-17(26)11-2-5-15(24)20-8-11/h2-6,8-9,11H,7H2,1H3,(H,22,25)(H,21,23,26).
What are the key properties of N-[4-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-3H-pyridine-3-carboxamide?
N-[4-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-3H-pyridine-3-carboxamide has a molecular weight of 447.31 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-3H-pyridine-3-carboxamide is sourced from PubChem (CID 73339054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).