N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)propanamide

C13H16N2OS — CID 7152654

IUPACN-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)propanamide
SMILESCCC(=O)/N=c1\sc2c(C)cc(C)cc2n1C
InChIInChI=1S/C13H16N2OS/c1-5-11(16)14-13-15(4)10-7-8(2)6-9(3)12(10)17-13/h6-7H,5H2,1-4H3/b14-13-
InChIKeyKVEXCHCEEVFFHM-YPKPFQOOSA-N
MW248.35 g/mol
LogP2.69
Rot. Bonds1

About N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)propanamide

N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)propanamide (PubChem CID 7152654) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)propanamide.

Molecular Properties

Compound NameN-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)propanamide
PubChem CID7152654
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameN-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)propanamide
SMILESCCC(=O)/N=c1\sc2c(C)cc(C)cc2n1C
InChIInChI=1S/C13H16N2OS/c1-5-11(16)14-13-15(4)10-7-8(2)6-9(3)12(10)17-13/h6-7H,5H2,1-4H3/b14-13-
InChIKeyKVEXCHCEEVFFHM-YPKPFQOOSA-N
XLogP2.69
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylsulfonylphenyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 41126899
2-(4-methylsulfanylphenyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 41126426
2-(1,3-dioxoisoindol-2-yl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 2150906
2-(2-methoxy-5-methylphenyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 16912970
2-(4-chlorophenyl)sulfonyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 7519858
2,4-dimethyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885536
5-chloro-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 2159345
3-(4-chlorophenyl)sulfonyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)propanamide
CID 40951695
4-(diethylamino)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885439
3-(4-methoxyphenyl)sulfonyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)propanamide
CID 41324106
2-(2,4-dimethylphenyl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 42524680
3-chloro-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885113

Frequently Asked Questions

What is the IUPAC name of N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)propanamide?
The IUPAC name of N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)propanamide (CID 7152654) is N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)propanamide.
What is the SMILES notation for N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)propanamide?
The canonical SMILES for N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)propanamide is CCC(=O)/N=c1\sc2c(C)cc(C)cc2n1C.
What is the InChIKey of N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)propanamide?
The InChIKey is KVEXCHCEEVFFHM-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-5-11(16)14-13-15(4)10-7-8(2)6-9(3)12(10)17-13/h6-7H,5H2,1-4H3/b14-13-.
What are the key properties of N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)propanamide?
N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)propanamide has a molecular weight of 248.35 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)propanamide is sourced from PubChem (CID 7152654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).