N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide

C11H12N2OS2 — CID 7615110

IUPACN-(6-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide
SMILESCCC(=O)Nc1nc2ccc(SC)cc2s1
InChIInChI=1S/C11H12N2OS2/c1-3-10(14)13-11-12-8-5-4-7(15-2)6-9(8)16-11/h4-6H,3H2,1-2H3,(H,12,13,14)
InChIKeyBHZWBOQMECCBLG-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.37
Rot. Bonds3

About N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide

N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide (PubChem CID 7615110) has the molecular formula C11H12N2OS2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(6-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide
PubChem CID7615110
Molecular FormulaC11H12N2OS2
Molecular Weight252.36 g/mol
Exact Mass252.04
IUPAC NameN-(6-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide
SMILESCCC(=O)Nc1nc2ccc(SC)cc2s1
InChIInChI=1S/C11H12N2OS2/c1-3-10(14)13-11-12-8-5-4-7(15-2)6-9(8)16-11/h4-6H,3H2,1-2H3,(H,12,13,14)
InChIKeyBHZWBOQMECCBLG-UHFFFAOYSA-N
XLogP3.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[(3-methylsulfanylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]propanamide
CID 46325771
2-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide
CID 41320931
2-(2,4-dimethylphenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide
CID 7615157
N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
CID 41340187
2-(benzenesulfonyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide
CID 7615136
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
3-(4-fluorophenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide
CID 7615141
2-[2-(propanoylamino)-1,3-benzothiazol-6-yl]acetic acid
CID 29247510
N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7615080
2-(4-methylsulfanylphenyl)-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
CID 8700884
5-methyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 16953807
1-(4-methoxyphenyl)-3-(6-methylsulfanyl-1,3-benzothiazol-2-yl)urea
CID 121081181

Frequently Asked Questions

What is the IUPAC name of N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide (CID 7615110) is N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide is CCC(=O)Nc1nc2ccc(SC)cc2s1.
What is the InChIKey of N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is BHZWBOQMECCBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS2/c1-3-10(14)13-11-12-8-5-4-7(15-2)6-9(8)16-11/h4-6H,3H2,1-2H3,(H,12,13,14).
What are the key properties of N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide?
N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 252.36 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 7615110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).