N-[6-[(2-chlorophenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide

C16H13ClN4O2S — CID 46325782

IUPACN-[6-[(2-chlorophenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(NC(=O)Nc3ccccc3Cl)cc2s1
InChIInChI=1S/C16H13ClN4O2S/c1-9(22)18-16-21-13-7-6-10(8-14(13)24-16)19-15(23)20-12-5-3-2-4-11(12)17/h2-8H,1H3,(H,18,21,22)(H2,19,20,23)
InChIKeyZWYCFDYQAXRABY-UHFFFAOYSA-N
MW360.83 g/mol
LogP4.55
Rot. Bonds3

About N-[6-[(2-chlorophenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide

N-[6-[(2-chlorophenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide (PubChem CID 46325782) has the molecular formula C16H13ClN4O2S and a molecular weight of 360.83 g/mol. Its IUPAC name is N-[6-[(2-chlorophenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[(2-chlorophenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide
PubChem CID46325782
Molecular FormulaC16H13ClN4O2S
Molecular Weight360.83 g/mol
Exact Mass360.04
IUPAC NameN-[6-[(2-chlorophenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(NC(=O)Nc3ccccc3Cl)cc2s1
InChIInChI=1S/C16H13ClN4O2S/c1-9(22)18-16-21-13-7-6-10(8-14(13)24-16)19-15(23)20-12-5-3-2-4-11(12)17/h2-8H,1H3,(H,18,21,22)(H2,19,20,23)
InChIKeyZWYCFDYQAXRABY-UHFFFAOYSA-N
XLogP4.55
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.83
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-3-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]urea
CID 46382418
N-[6-[(2,5-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide
CID 46325788
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 46290994
N-(2-acetamido-1,3-benzothiazol-6-yl)-3-chloro-1-benzothiophene-2-carboxamide
CID 1010853
1-(2,3-dichlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea
CID 4206727
2-[[6-[(2-chlorophenyl)carbamoylamino]-1,3-benzothiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
CID 46268724
N-[2-(3-chloro-4-hydroxyanilino)-1,3-benzothiazol-6-yl]acetamide
CID 142733972
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 954022
1-(4-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)urea
CID 46193181
N-[2-[(3-chloroquinoxalin-2-yl)amino]-1,3-benzothiazol-6-yl]acetamide
CID 17272077
N-(2-acetamido-1,3-benzothiazol-6-yl)-5-chloro-2-fluorobenzamide
CID 55769791
N-benzyl-2-[[6-[(2-chlorophenyl)carbamoylamino]-1,3-benzothiazol-2-yl]sulfanyl]acetamide
CID 46269491

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2-chlorophenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[6-[(2-chlorophenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide (CID 46325782) is N-[6-[(2-chlorophenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[6-[(2-chlorophenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[6-[(2-chlorophenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide is CC(=O)Nc1nc2ccc(NC(=O)Nc3ccccc3Cl)cc2s1.
What is the InChIKey of N-[6-[(2-chlorophenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is ZWYCFDYQAXRABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2S/c1-9(22)18-16-21-13-7-6-10(8-14(13)24-16)19-15(23)20-12-5-3-2-4-11(12)17/h2-8H,1H3,(H,18,21,22)(H2,19,20,23).
What are the key properties of N-[6-[(2-chlorophenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide?
N-[6-[(2-chlorophenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 360.83 g/mol, XLogP of 4.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2-chlorophenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 46325782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).