N-[(E)-(5-chlorothiophen-2-yl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide

C12H11ClN2OS2 — CID 6875172

IUPACN-[(E)-(5-chlorothiophen-2-yl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1scc(C(=O)N/N=C/c2ccc(Cl)s2)c1C
InChIInChI=1S/C12H11ClN2OS2/c1-7-8(2)17-6-10(7)12(16)15-14-5-9-3-4-11(13)18-9/h3-6H,1-2H3,(H,15,16)/b14-5+
InChIKeyNQIKZDBIBZTCTC-LHHJGKSTSA-N
MW298.82 g/mol
LogP3.84
Rot. Bonds3

About N-[(E)-(5-chlorothiophen-2-yl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide

N-[(E)-(5-chlorothiophen-2-yl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 6875172) has the molecular formula C12H11ClN2OS2 and a molecular weight of 298.82 g/mol. Its IUPAC name is N-[(E)-(5-chlorothiophen-2-yl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(5-chlorothiophen-2-yl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID6875172
Molecular FormulaC12H11ClN2OS2
Molecular Weight298.82 g/mol
Exact Mass298.00
IUPAC NameN-[(E)-(5-chlorothiophen-2-yl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1scc(C(=O)N/N=C/c2ccc(Cl)s2)c1C
InChIInChI=1S/C12H11ClN2OS2/c1-7-8(2)17-6-10(7)12(16)15-14-5-9-3-4-11(13)18-9/h3-6H,1-2H3,(H,15,16)/b14-5+
InChIKeyNQIKZDBIBZTCTC-LHHJGKSTSA-N
XLogP3.84
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[4-(methylsulfanyl)benzylidene]-2-thiophenecarbohydrazide
CID 6878439
N-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide
CID 6861718
4,5-dimethyl-N'-[1-(2-thienyl)propylidene]-3-thiophenecarbohydrazide
CID 5412332
4,5-dimethyl-N'-[1-(2-thienyl)butylidene]-3-thiophenecarbohydrazide
CID 6112937
4-ethyl-5-methyl-N'-(3-thienylmethylene)-3-thiophenecarbohydrazide
CID 6162882
N'-(2-thienylmethylene)-2-thiophenecarbohydrazide
CID 6893794
N'-[(5-methyl-2-thienyl)methylene]-2-thiophenecarbohydrazide
CID 5390719
N'-[1-(5-chloro-2-thienyl)ethylidene]-4,5-dimethyl-3-thiophenecarbohydrazide
CID 5412323
N-[(Z)-1-(5-chlorothiophen-2-yl)butylideneamino]-4,5-dimethylthiophene-3-carboxamide
CID 6521560
3-methyl-N'-[(3-methyl-2-thienyl)methylene]-2-thiophenecarbohydrazide
CID 6873509
4,5-dimethyl-N'-(3-thienylmethylene)-3-thiophenecarbohydrazide
CID 6875163
N'-[(3-methyl-2-thienyl)methylene]-2-thiophenecarbohydrazide
CID 6879064

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-chlorothiophen-2-yl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-[(E)-(5-chlorothiophen-2-yl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide (CID 6875172) is N-[(E)-(5-chlorothiophen-2-yl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-[(E)-(5-chlorothiophen-2-yl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-[(E)-(5-chlorothiophen-2-yl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide is Cc1scc(C(=O)N/N=C/c2ccc(Cl)s2)c1C.
What is the InChIKey of N-[(E)-(5-chlorothiophen-2-yl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is NQIKZDBIBZTCTC-LHHJGKSTSA-N. The full InChI is InChI=1S/C12H11ClN2OS2/c1-7-8(2)17-6-10(7)12(16)15-14-5-9-3-4-11(13)18-9/h3-6H,1-2H3,(H,15,16)/b14-5+.
What are the key properties of N-[(E)-(5-chlorothiophen-2-yl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide?
N-[(E)-(5-chlorothiophen-2-yl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 298.82 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-chlorothiophen-2-yl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 6875172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).