2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide

C18H14ClN7OS2 — CID 4894838

IUPAC2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide
SMILESO=C(CSc1nnnn1-c1cccc(Cl)c1)Nc1ccc2c(c1)N1CCN=C1S2
InChIInChI=1S/C18H14ClN7OS2/c19-11-2-1-3-13(8-11)26-18(22-23-24-26)28-10-16(27)21-12-4-5-15-14(9-12)25-7-6-20-17(25)29-15/h1-5,8-9H,6-7,10H2,(H,21,27)
InChIKeyRLLVVBVOMLLDMQ-UHFFFAOYSA-N
MW443.95 g/mol
LogP3.33
Rot. Bonds5

About 2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide

2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide (PubChem CID 4894838) has the molecular formula C18H14ClN7OS2 and a molecular weight of 443.95 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide
PubChem CID4894838
Molecular FormulaC18H14ClN7OS2
Molecular Weight443.95 g/mol
Exact Mass443.04
IUPAC Name2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide
SMILESO=C(CSc1nnnn1-c1cccc(Cl)c1)Nc1ccc2c(c1)N1CCN=C1S2
InChIInChI=1S/C18H14ClN7OS2/c19-11-2-1-3-13(8-11)26-18(22-23-24-26)28-10-16(27)21-12-4-5-15-14(9-12)25-7-6-20-17(25)29-15/h1-5,8-9H,6-7,10H2,(H,21,27)
InChIKeyRLLVVBVOMLLDMQ-UHFFFAOYSA-N
XLogP3.33
TPSA88.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.95
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-((4-(3-chlorophenyl)-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
CID 3239446
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 4871470
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide
CID 2610440
2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide
CID 4693217
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 4893359
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4894112
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 4895406
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 4896788
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 4898380
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4898546
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4898894
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4971114

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide?
The IUPAC name of 2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide (CID 4894838) is 2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide.
What is the SMILES notation for 2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide?
The canonical SMILES for 2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide is O=C(CSc1nnnn1-c1cccc(Cl)c1)Nc1ccc2c(c1)N1CCN=C1S2.
What is the InChIKey of 2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide?
The InChIKey is RLLVVBVOMLLDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN7OS2/c19-11-2-1-3-13(8-11)26-18(22-23-24-26)28-10-16(27)21-12-4-5-15-14(9-12)25-7-6-20-17(25)29-15/h1-5,8-9H,6-7,10H2,(H,21,27).
What are the key properties of 2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide?
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide has a molecular weight of 443.95 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide is sourced from PubChem (CID 4894838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).