N-(3-propyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)acetamide

C12H15N3O3S2 — CID 7540796

IUPACN-(3-propyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCCCn1/c(=N/C(C)=O)sc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C12H15N3O3S2/c1-3-6-15-10-5-4-9(20(13,17)18)7-11(10)19-12(15)14-8(2)16/h4-5,7H,3,6H2,1-2H3,(H2,13,17,18)/b14-12-
InChIKeyNPWWZZMVLGNLNU-OWBHPGMISA-N
MW313.40 g/mol
LogP1.21
Rot. Bonds3

About N-(3-propyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)acetamide

N-(3-propyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)acetamide (PubChem CID 7540796) has the molecular formula C12H15N3O3S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(3-propyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound NameN-(3-propyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)acetamide
PubChem CID7540796
Molecular FormulaC12H15N3O3S2
Molecular Weight313.40 g/mol
Exact Mass313.06
IUPAC NameN-(3-propyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCCCn1/c(=N/C(C)=O)sc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C12H15N3O3S2/c1-3-6-15-10-5-4-9(20(13,17)18)7-11(10)19-12(15)14-8(2)16/h4-5,7H,3,6H2,1-2H3,(H2,13,17,18)/b14-12-
InChIKeyNPWWZZMVLGNLNU-OWBHPGMISA-N
XLogP1.21
TPSA94.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-difluoro-N-(3-propyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide
CID 7540877
3,5-dimethoxy-N-(3-propyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43983558
4-methoxy-N-(3-propyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide
CID 7540820
N-(3-propyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-3-thiophen-2-ylprop-2-enamide
CID 78499848
4-(dibutylsulfamoyl)-N-(3-propyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43983805
N-(3-propyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 43983586
4-propan-2-yloxy-N-(3-propyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43983790
N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
CID 7540608
N-(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
CID 7540732
N-[3-(2-ethoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]butanamide
CID 5054221
3-(2-chlorophenyl)-N-(3-propyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)prop-2-enamide
CID 74909076
N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
CID 7540616

Frequently Asked Questions

What is the IUPAC name of N-(3-propyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)acetamide?
The IUPAC name of N-(3-propyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)acetamide (CID 7540796) is N-(3-propyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for N-(3-propyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)acetamide?
The canonical SMILES for N-(3-propyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)acetamide is CCCn1/c(=N/C(C)=O)sc2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of N-(3-propyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)acetamide?
The InChIKey is NPWWZZMVLGNLNU-OWBHPGMISA-N. The full InChI is InChI=1S/C12H15N3O3S2/c1-3-6-15-10-5-4-9(20(13,17)18)7-11(10)19-12(15)14-8(2)16/h4-5,7H,3,6H2,1-2H3,(H2,13,17,18)/b14-12-.
What are the key properties of N-(3-propyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)acetamide?
N-(3-propyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)acetamide has a molecular weight of 313.40 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 7540796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).