N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide

C19H15N3OS2 — CID 18276009

IUPACN-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)Nc3nc4c(C)cccc4s3)cs2)cc1
InChIInChI=1S/C19H15N3OS2/c1-11-6-8-13(9-7-11)18-20-14(10-24-18)17(23)22-19-21-16-12(2)4-3-5-15(16)25-19/h3-10H,1-2H3,(H,21,22,23)
InChIKeyUUFJURAXPHAWAY-UHFFFAOYSA-N
MW365.48 g/mol
LogP5.29
Rot. Bonds3

About N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide

N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 18276009) has the molecular formula C19H15N3OS2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID18276009
Molecular FormulaC19H15N3OS2
Molecular Weight365.48 g/mol
Exact Mass365.07
IUPAC NameN-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)Nc3nc4c(C)cccc4s3)cs2)cc1
InChIInChI=1S/C19H15N3OS2/c1-11-6-8-13(9-7-11)18-20-14(10-24-18)17(23)22-19-21-16-12(2)4-3-5-15(16)25-19/h3-10H,1-2H3,(H,21,22,23)
InChIKeyUUFJURAXPHAWAY-UHFFFAOYSA-N
XLogP5.29
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzamido-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 16914998
5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 47293501
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51205846
2-hydroxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126545
2-(4-methylphenyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 31156594
2,4,5-trimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-3-carboxamide
CID 35871795
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 18229691
4-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 974126
3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 12646557
N-(3-hydroxy-2-pyridinyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 18109513
methyl 2-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 43952216
4-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 4551607

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide (CID 18276009) is N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide is Cc1ccc(-c2nc(C(=O)Nc3nc4c(C)cccc4s3)cs2)cc1.
What is the InChIKey of N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is UUFJURAXPHAWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS2/c1-11-6-8-13(9-7-11)18-20-14(10-24-18)17(23)22-19-21-16-12(2)4-3-5-15(16)25-19/h3-10H,1-2H3,(H,21,22,23).
What are the key properties of N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 18276009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).