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

C19H14N4O2S2 — CID 16914998

IUPAC2-benzamido-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1cccc2sc(NC(=O)c3csc(NC(=O)c4ccccc4)n3)nc12
InChIInChI=1S/C19H14N4O2S2/c1-11-6-5-9-14-15(11)21-19(27-14)23-17(25)13-10-26-18(20-13)22-16(24)12-7-3-2-4-8-12/h2-10H,1H3,(H,20,22,24)(H,21,23,25)
InChIKeyNWQIYUREIQOCSD-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.57
Rot. Bonds4

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

2-benzamido-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 16914998) has the molecular formula C19H14N4O2S2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-benzamido-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-benzamido-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID16914998
Molecular FormulaC19H14N4O2S2
Molecular Weight394.48 g/mol
Exact Mass394.06
IUPAC Name2-benzamido-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1cccc2sc(NC(=O)c3csc(NC(=O)c4ccccc4)n3)nc12
InChIInChI=1S/C19H14N4O2S2/c1-11-6-5-9-14-15(11)21-19(27-14)23-17(25)13-10-26-18(20-13)22-16(24)12-7-3-2-4-8-12/h2-10H,1H3,(H,20,22,24)(H,21,23,25)
InChIKeyNWQIYUREIQOCSD-UHFFFAOYSA-N
XLogP4.57
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzamido-N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 16914979
N-[4-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-1,3-thiazol-2-yl]benzamide
CID 42208874
N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 18276009
4-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 974126
N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;N-[(2-methylphenyl)carbamothioyl]benzamide
CID 159176709
N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 16938385
N-(4-methyl-1,3-benzothiazol-2-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24608180
N-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7266872
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 4307053
2-hydroxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126545
N-(4-bromo-1,3-benzothiazol-2-yl)benzamide
CID 7202695
4-ethylsulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7579181

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-benzamido-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 16914998) is 2-benzamido-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-benzamido-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-benzamido-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide is Cc1cccc2sc(NC(=O)c3csc(NC(=O)c4ccccc4)n3)nc12.
What is the InChIKey of 2-benzamido-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is NWQIYUREIQOCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2S2/c1-11-6-5-9-14-15(11)21-19(27-14)23-17(25)13-10-26-18(20-13)22-16(24)12-7-3-2-4-8-12/h2-10H,1H3,(H,20,22,24)(H,21,23,25).
What are the key properties of 2-benzamido-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide?
2-benzamido-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16914998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).