N-(4,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide

C15H14N2O3S2 — CID 4102190

IUPACN-(4,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
SMILESCOc1cc(OC)c2c(c1)s/c(=N\C(=O)c1cccs1)n2C
InChIInChI=1S/C15H14N2O3S2/c1-17-13-10(20-3)7-9(19-2)8-12(13)22-15(17)16-14(18)11-5-4-6-21-11/h4-8H,1-3H3/b16-15-
InChIKeyZOZHLOPDTZHPRB-NXVVXOECSA-N
MW334.42 g/mol
LogP3.06
Rot. Bonds3

About N-(4,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide

N-(4,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide (PubChem CID 4102190) has the molecular formula C15H14N2O3S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(4,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
PubChem CID4102190
Molecular FormulaC15H14N2O3S2
Molecular Weight334.42 g/mol
Exact Mass334.04
IUPAC NameN-(4,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
SMILESCOc1cc(OC)c2c(c1)s/c(=N\C(=O)c1cccs1)n2C
InChIInChI=1S/C15H14N2O3S2/c1-17-13-10(20-3)7-9(19-2)8-12(13)22-15(17)16-14(18)11-5-4-6-21-11/h4-8H,1-3H3/b16-15-
InChIKeyZOZHLOPDTZHPRB-NXVVXOECSA-N
XLogP3.06
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 5083424
N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 7244578
methyl 3-[5-methoxy-2-(thiophene-2-carbonylimino)-1,3-benzothiazol-3-yl]propanoate
CID 8613058
4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5053211
N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4051036
N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide
CID 5225520
3,5-dichloro-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5175515
ethyl 3-[5-methoxy-2-(thiophene-2-carbonylimino)-1,3-benzothiazol-3-yl]propanoate
CID 8613059
thiophen-2-yl-(2,4,6-trimethoxyphenyl)methanone
CID 93191545
N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
CID 3316524
N-(4-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 7541320
2,5-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 16848905

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The IUPAC name of N-(4,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide (CID 4102190) is N-(4,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide.
What is the SMILES notation for N-(4,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The canonical SMILES for N-(4,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide is COc1cc(OC)c2c(c1)s/c(=N\C(=O)c1cccs1)n2C.
What is the InChIKey of N-(4,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The InChIKey is ZOZHLOPDTZHPRB-NXVVXOECSA-N. The full InChI is InChI=1S/C15H14N2O3S2/c1-17-13-10(20-3)7-9(19-2)8-12(13)22-15(17)16-14(18)11-5-4-6-21-11/h4-8H,1-3H3/b16-15-.
What are the key properties of N-(4,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
N-(4,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide is sourced from PubChem (CID 4102190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).