N-(5-chloro-2-methylphenyl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide

C17H15ClN2O2S — CID 38484325

IUPACN-(5-chloro-2-methylphenyl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)Nc3cc(Cl)ccc3C)s2)o1
InChIInChI=1S/C17H15ClN2O2S/c1-9-4-6-12(18)8-13(9)20-16(21)15-11(3)19-17(23-15)14-7-5-10(2)22-14/h4-8H,1-3H3,(H,20,21)
InChIKeyNMYFCJBMMKOHTD-UHFFFAOYSA-N
MW346.84 g/mol
LogP5.23
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide

N-(5-chloro-2-methylphenyl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 38484325) has the molecular formula C17H15ClN2O2S and a molecular weight of 346.84 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID38484325
Molecular FormulaC17H15ClN2O2S
Molecular Weight346.84 g/mol
Exact Mass346.05
IUPAC NameN-(5-chloro-2-methylphenyl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)Nc3cc(Cl)ccc3C)s2)o1
InChIInChI=1S/C17H15ClN2O2S/c1-9-4-6-12(18)8-13(9)20-16(21)15-11(3)19-17(23-15)14-7-5-10(2)22-14/h4-8H,1-3H3,(H,20,21)
InChIKeyNMYFCJBMMKOHTD-UHFFFAOYSA-N
XLogP5.23
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.84
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-indazol-7-yl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 38487420
4-methyl-N-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119503082
N-(3-aminopropyl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 119407804
N-(5-chloro-2-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113446
N-(1,3-benzodioxol-5-yl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 38404531
N-[4-(2-amino-2-oxoethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 38592392
4-methyl-2-(5-methylfuran-2-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 38432031
N-(5-chloro-2-methylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134315
2,2-dimethyl-3-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 119249348
N-(5-chloro-2-fluorophenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 134052558
2-(3-chlorophenyl)-4-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 55731775
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120882863

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide (CID 38484325) is N-(5-chloro-2-methylphenyl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide is Cc1ccc(-c2nc(C)c(C(=O)Nc3cc(Cl)ccc3C)s2)o1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is NMYFCJBMMKOHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2S/c1-9-4-6-12(18)8-13(9)20-16(21)15-11(3)19-17(23-15)14-7-5-10(2)22-14/h4-8H,1-3H3,(H,20,21).
What are the key properties of N-(5-chloro-2-methylphenyl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide?
N-(5-chloro-2-methylphenyl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 346.84 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 38484325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).