N-(1,3-benzothiazol-2-yl)-2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanylacetamide

C19H15FN4OS2 — CID 7151016

IUPACN-(1,3-benzothiazol-2-yl)-2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanylacetamide
SMILESO=C(CSc1nccn1Cc1ccc(F)cc1)Nc1nc2ccccc2s1
InChIInChI=1S/C19H15FN4OS2/c20-14-7-5-13(6-8-14)11-24-10-9-21-19(24)26-12-17(25)23-18-22-15-3-1-2-4-16(15)27-18/h1-10H,11-12H2,(H,22,23,25)
InChIKeyCJOARJASFGVHMC-UHFFFAOYSA-N
MW398.49 g/mol
LogP4.41
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanylacetamide

N-(1,3-benzothiazol-2-yl)-2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanylacetamide (PubChem CID 7151016) has the molecular formula C19H15FN4OS2 and a molecular weight of 398.49 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanylacetamide
PubChem CID7151016
Molecular FormulaC19H15FN4OS2
Molecular Weight398.49 g/mol
Exact Mass398.07
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanylacetamide
SMILESO=C(CSc1nccn1Cc1ccc(F)cc1)Nc1nc2ccccc2s1
InChIInChI=1S/C19H15FN4OS2/c20-14-7-5-13(6-8-14)11-24-10-9-21-19(24)26-12-17(25)23-18-22-15-3-1-2-4-16(15)27-18/h1-10H,11-12H2,(H,22,23,25)
InChIKeyCJOARJASFGVHMC-UHFFFAOYSA-N
XLogP4.41
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]acetamide
CID 20823986
2-({12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)acetamide
CID 20823995
N-{6-[2-(Methylsulfanyl)pyrimidin-4-Yl]-1,3-Benzothiazol-2-Yl}acetamide
CID 25183031
3-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 24789150
[4-(2-Methyl-imidazo[1,2-a]pyrimidin-3-yl)-thiazol-2-yl]-p-tolyl-amine
CID 2898055
2-[(2-{3-[12-Methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl}ethyl)amino]acetamide
CID 23657350
N-({3-[12-methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl}methyl)acetamide
CID 25093444
2-[({3-[12-Methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl}methyl)amino]acetamide
CID 25093447
N-(2-{3-[12-methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl}ethyl)acetamide
CID 25093449
N-(3-(1H-imidazol-1-yl)propyl)benzo[d]thiazol-2-amine
CID 6539203
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 894110
N-(1,3-Benzothiazol-2-YL)-2-({1-[(4-methylphenyl)methyl]-1H-imidazol-2-YL}sulfanyl)acetamide
CID 7151039

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanylacetamide (CID 7151016) is N-(1,3-benzothiazol-2-yl)-2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanylacetamide is O=C(CSc1nccn1Cc1ccc(F)cc1)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanylacetamide?
The InChIKey is CJOARJASFGVHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4OS2/c20-14-7-5-13(6-8-14)11-24-10-9-21-19(24)26-12-17(25)23-18-22-15-3-1-2-4-16(15)27-18/h1-10H,11-12H2,(H,22,23,25).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanylacetamide?
N-(1,3-benzothiazol-2-yl)-2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanylacetamide has a molecular weight of 398.49 g/mol, XLogP of 4.41, 6 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-yl)-2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 7151016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).