2-acetamido-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide

C14H12N4O3S2 — CID 39046251

IUPAC2-acetamido-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3csc(NC(C)=O)n3)sc2c1
InChIInChI=1S/C14H12N4O3S2/c1-7(19)15-13-17-10(6-22-13)12(20)18-14-16-9-4-3-8(21-2)5-11(9)23-14/h3-6H,1-2H3,(H,15,17,19)(H,16,18,20)
InChIKeyCCUHIWAKHYVDCV-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.97
Rot. Bonds4

About 2-acetamido-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide

2-acetamido-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 39046251) has the molecular formula C14H12N4O3S2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-acetamido-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID39046251
Molecular FormulaC14H12N4O3S2
Molecular Weight348.41 g/mol
Exact Mass348.04
IUPAC Name2-acetamido-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3csc(NC(C)=O)n3)sc2c1
InChIInChI=1S/C14H12N4O3S2/c1-7(19)15-13-17-10(6-22-13)12(20)18-14-16-9-4-3-8(21-2)5-11(9)23-14/h3-6H,1-2H3,(H,15,17,19)(H,16,18,20)
InChIKeyCCUHIWAKHYVDCV-UHFFFAOYSA-N
XLogP2.97
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 36662741
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
2-(2,4-dimethoxyanilino)-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 16955129
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 23910638
5-acetyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 18126513
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948244
6-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 17395023
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)ethyl]benzamide
CID 91335241
2,6-difluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 741712
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110678670

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-acetamido-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 39046251) is 2-acetamido-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-acetamido-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide is COc1ccc2nc(NC(=O)c3csc(NC(C)=O)n3)sc2c1.
What is the InChIKey of 2-acetamido-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is CCUHIWAKHYVDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3S2/c1-7(19)15-13-17-10(6-22-13)12(20)18-14-16-9-4-3-8(21-2)5-11(9)23-14/h3-6H,1-2H3,(H,15,17,19)(H,16,18,20).
What are the key properties of 2-acetamido-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide?
2-acetamido-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 39046251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).