N-(4-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide

C17H18N2O2S2 — CID 7541320

IUPACN-(4-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
SMILESCCCn1/c(=N/C(=O)c2cccs2)sc2cccc(OCC)c21
InChIInChI=1S/C17H18N2O2S2/c1-3-10-19-15-12(21-4-2)7-5-8-13(15)23-17(19)18-16(20)14-9-6-11-22-14/h5-9,11H,3-4,10H2,1-2H3/b18-17-
InChIKeyDRQFVVYUBHOWSN-ZCXUNETKSA-N
MW346.48 g/mol
LogP4.31
Rot. Bonds5

About N-(4-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide

N-(4-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide (PubChem CID 7541320) has the molecular formula C17H18N2O2S2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-(4-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
PubChem CID7541320
Molecular FormulaC17H18N2O2S2
Molecular Weight346.48 g/mol
Exact Mass346.08
IUPAC NameN-(4-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
SMILESCCCn1/c(=N/C(=O)c2cccs2)sc2cccc(OCC)c21
InChIInChI=1S/C17H18N2O2S2/c1-3-10-19-15-12(21-4-2)7-5-8-13(15)23-17(19)18-16(20)14-9-6-11-22-14/h5-9,11H,3-4,10H2,1-2H3/b18-17-
InChIKeyDRQFVVYUBHOWSN-ZCXUNETKSA-N
XLogP4.31
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 4102084
methyl 4-[(4-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
CID 41001377
5-bromo-N-[4-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide
CID 40886494
N-[4-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
CID 40888430
3-(benzenesulfonyl)-N-(4-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)propanamide
CID 41001584
N-[4-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4,5-trimethoxybenzamide
CID 40886407
N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 7540565
3,4,5-trimethoxy-N-(4-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 7541324
N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide
CID 4051224
N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide
CID 5077933
N-[4-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide
CID 7153310
N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pentanamide
CID 2151421

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The IUPAC name of N-(4-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide (CID 7541320) is N-(4-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The canonical SMILES for N-(4-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide is CCCn1/c(=N/C(=O)c2cccs2)sc2cccc(OCC)c21.
What is the InChIKey of N-(4-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The InChIKey is DRQFVVYUBHOWSN-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H18N2O2S2/c1-3-10-19-15-12(21-4-2)7-5-8-13(15)23-17(19)18-16(20)14-9-6-11-22-14/h5-9,11H,3-4,10H2,1-2H3/b18-17-.
What are the key properties of N-(4-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
N-(4-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide is sourced from PubChem (CID 7541320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).