N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide

C16H16N2OS2 — CID 7540565

IUPACN-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
SMILESCCCn1/c(=N/C(=O)c2cccs2)sc2cc(C)ccc21
InChIInChI=1S/C16H16N2OS2/c1-3-8-18-12-7-6-11(2)10-14(12)21-16(18)17-15(19)13-5-4-9-20-13/h4-7,9-10H,3,8H2,1-2H3/b17-16-
InChIKeyZLCDAXAUEMOMMG-MSUUIHNZSA-N
MW316.45 g/mol
LogP4.22
Rot. Bonds3

About N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide

N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide (PubChem CID 7540565) has the molecular formula C16H16N2OS2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
PubChem CID7540565
Molecular FormulaC16H16N2OS2
Molecular Weight316.45 g/mol
Exact Mass316.07
IUPAC NameN-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
SMILESCCCn1/c(=N/C(=O)c2cccs2)sc2cc(C)ccc21
InChIInChI=1S/C16H16N2OS2/c1-3-8-18-12-7-6-11(2)10-14(12)21-16(18)17-15(19)13-5-4-9-20-13/h4-7,9-10H,3,8H2,1-2H3/b17-16-
InChIKeyZLCDAXAUEMOMMG-MSUUIHNZSA-N
XLogP4.22
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 4161916
N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 8612685
N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 43984213
5-chloro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 43983974
ethyl 3-[6-fluoro-2-(thiophene-2-carbonylimino)-1,3-benzothiazol-3-yl]propanoate
CID 8612750
4-chloro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43983945
4-fluoro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43983952
4-methoxy-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43983958
2,5-dichloro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43983980
N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenoxybenzamide
CID 43984041
N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)-5-nitro-1-benzothiophene-2-carboxamide
CID 43983991
ethyl 2-[6-ethoxy-2-(thiophene-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate
CID 3410219

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The IUPAC name of N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide (CID 7540565) is N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide.
What is the SMILES notation for N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The canonical SMILES for N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide is CCCn1/c(=N/C(=O)c2cccs2)sc2cc(C)ccc21.
What is the InChIKey of N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The InChIKey is ZLCDAXAUEMOMMG-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H16N2OS2/c1-3-8-18-12-7-6-11(2)10-14(12)21-16(18)17-15(19)13-5-4-9-20-13/h4-7,9-10H,3,8H2,1-2H3/b17-16-.
What are the key properties of N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide is sourced from PubChem (CID 7540565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).