N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

C19H16N4OS2 — CID 16562643

IUPACN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCc1cc(C)c2nc(NC(=O)Cc3csc(-c4ccccn4)n3)sc2c1
InChIInChI=1S/C19H16N4OS2/c1-11-7-12(2)17-15(8-11)26-19(23-17)22-16(24)9-13-10-25-18(21-13)14-5-3-4-6-20-14/h3-8,10H,9H2,1-2H3,(H,22,23,24)
InChIKeyCXFCSADTIFDJNM-UHFFFAOYSA-N
MW380.50 g/mol
LogP4.61
Rot. Bonds4

About N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 16562643) has the molecular formula C19H16N4OS2 and a molecular weight of 380.50 g/mol. Its IUPAC name is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID16562643
Molecular FormulaC19H16N4OS2
Molecular Weight380.50 g/mol
Exact Mass380.08
IUPAC NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCc1cc(C)c2nc(NC(=O)Cc3csc(-c4ccccn4)n3)sc2c1
InChIInChI=1S/C19H16N4OS2/c1-11-7-12(2)17-15(8-11)26-19(23-17)22-16(24)9-13-10-25-18(21-13)14-5-3-4-6-20-14/h3-8,10H,9H2,1-2H3,(H,22,23,24)
InChIKeyCXFCSADTIFDJNM-UHFFFAOYSA-N
XLogP4.61
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-methylphenyl)acetamide
CID 30848217
N-(3-chloro-4-methylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 30424894
N-(4,5-dimethoxy-2-methylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 26771720
2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide
CID 16605145
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16579285
N-(3-acetylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 34829771
4,6-dimethyl-2-pyridin-2-yl-1,3-benzothiazole
CID 57387521
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16563450
N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27648148
2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 16572212
2-(4-bromophenyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 7926926
N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16562621

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (CID 16562643) is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is Cc1cc(C)c2nc(NC(=O)Cc3csc(-c4ccccn4)n3)sc2c1.
What is the InChIKey of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is CXFCSADTIFDJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS2/c1-11-7-12(2)17-15(8-11)26-19(23-17)22-16(24)9-13-10-25-18(21-13)14-5-3-4-6-20-14/h3-8,10H,9H2,1-2H3,(H,22,23,24).
What are the key properties of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 380.50 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 16562643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).