2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide

C15H15ClN2OS2 — CID 112779085

IUPAC2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CSc1nc2cc(Cl)ccc2s1
InChIInChI=1S/C15H15ClN2OS2/c1-3-7-18(8-4-2)14(19)10-20-15-17-12-9-11(16)5-6-13(12)21-15/h3-6,9H,1-2,7-8,10H2
InChIKeyCFOXUDGQIKMVJD-UHFFFAOYSA-N
MW338.89 g/mol
LogP4.24
Rot. Bonds7

About 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide

2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide (PubChem CID 112779085) has the molecular formula C15H15ClN2OS2 and a molecular weight of 338.89 g/mol. Its IUPAC name is 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide
PubChem CID112779085
Molecular FormulaC15H15ClN2OS2
Molecular Weight338.89 g/mol
Exact Mass338.03
IUPAC Name2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CSc1nc2cc(Cl)ccc2s1
InChIInChI=1S/C15H15ClN2OS2/c1-3-7-18(8-4-2)14(19)10-20-15-17-12-9-11(16)5-6-13(12)21-15/h3-6,9H,1-2,7-8,10H2
InChIKeyCFOXUDGQIKMVJD-UHFFFAOYSA-N
XLogP4.24
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.89
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-prop-2-enylamino]acetic acid
CID 79263304
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide
CID 2542706
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
CID 1379298
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide
CID 5024075
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-pentan-3-ylacetamide
CID 3923725
1-(azepan-1-yl)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethanone
CID 23770086
tert-butyl 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetate
CID 47095527
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[7-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]naphthalen-2-yl]acetamide
CID 17325039
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-phenothiazin-10-ylethanone
CID 4687926
N-butan-2-yl-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetamide
CID 3940496
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]isoindole-1,3-dione
CID 3995818
5-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]pentanoyl chloride
CID 71327130

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide (CID 112779085) is 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CSc1nc2cc(Cl)ccc2s1.
What is the InChIKey of 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is CFOXUDGQIKMVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS2/c1-3-7-18(8-4-2)14(19)10-20-15-17-12-9-11(16)5-6-13(12)21-15/h3-6,9H,1-2,7-8,10H2.
What are the key properties of 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide?
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 338.89 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 112779085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).