N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide

C19H15N3O2S2 — CID 134049696

IUPACN-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NCc3nc4ccccc4s3)cs2)cc1
InChIInChI=1S/C19H15N3O2S2/c1-24-13-8-6-12(7-9-13)19-22-15(11-25-19)18(23)20-10-17-21-14-4-2-3-5-16(14)26-17/h2-9,11H,10H2,1H3,(H,20,23)
InChIKeyLFVHRRHKXVSUAL-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.36
Rot. Bonds5

About N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide

N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 134049696) has the molecular formula C19H15N3O2S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID134049696
Molecular FormulaC19H15N3O2S2
Molecular Weight381.48 g/mol
Exact Mass381.06
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NCc3nc4ccccc4s3)cs2)cc1
InChIInChI=1S/C19H15N3O2S2/c1-24-13-8-6-12(7-9-13)19-22-15(11-25-19)18(23)20-10-17-21-14-4-2-3-5-16(14)26-17/h2-9,11H,10H2,1H3,(H,20,23)
InChIKeyLFVHRRHKXVSUAL-UHFFFAOYSA-N
XLogP4.36
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 18110654
N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42656610
N-(1,3-benzothiazol-2-ylmethyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 38135894
2-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide
CID 86825779
2-(1-aminoethyl)-N-(1,3-benzothiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66389325
N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methoxybenzamide
CID 31100874
1-(1,3-benzothiazol-2-ylmethyl)-3-(2-methoxyethyl)urea
CID 47133738
N-(3-amino-2-methylpropyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119998203
N-(3-aminobutyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119495584
2-(4-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide
CID 46462293
N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 75395541
N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 9191739

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide (CID 134049696) is N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)NCc3nc4ccccc4s3)cs2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is LFVHRRHKXVSUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S2/c1-24-13-8-6-12(7-9-13)19-22-15(11-25-19)18(23)20-10-17-21-14-4-2-3-5-16(14)26-17/h2-9,11H,10H2,1H3,(H,20,23).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 134049696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).