N-[(5-bromothiophen-2-yl)methylideneamino]-5-propylthiophene-3-carboxamide

C13H13BrN2OS2 — CID 5083807

IUPACN-[(5-bromothiophen-2-yl)methylideneamino]-5-propylthiophene-3-carboxamide
SMILESCCCc1cc(C(=O)NN=Cc2ccc(Br)s2)cs1
InChIInChI=1S/C13H13BrN2OS2/c1-2-3-10-6-9(8-18-10)13(17)16-15-7-11-4-5-12(14)19-11/h4-8H,2-3H2,1H3,(H,16,17)
InChIKeyAQQYGJGVBPYRED-UHFFFAOYSA-N
MW357.30 g/mol
LogP4.29
Rot. Bonds5

About N-[(5-bromothiophen-2-yl)methylideneamino]-5-propylthiophene-3-carboxamide

N-[(5-bromothiophen-2-yl)methylideneamino]-5-propylthiophene-3-carboxamide (PubChem CID 5083807) has the molecular formula C13H13BrN2OS2 and a molecular weight of 357.30 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methylideneamino]-5-propylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methylideneamino]-5-propylthiophene-3-carboxamide
PubChem CID5083807
Molecular FormulaC13H13BrN2OS2
Molecular Weight357.30 g/mol
Exact Mass355.97
IUPAC NameN-[(5-bromothiophen-2-yl)methylideneamino]-5-propylthiophene-3-carboxamide
SMILESCCCc1cc(C(=O)NN=Cc2ccc(Br)s2)cs1
InChIInChI=1S/C13H13BrN2OS2/c1-2-3-10-6-9(8-18-10)13(17)16-15-7-11-4-5-12(14)19-11/h4-8H,2-3H2,1H3,(H,16,17)
InChIKeyAQQYGJGVBPYRED-UHFFFAOYSA-N
XLogP4.29
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 54.29
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-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-5-methylthiophene-3-carboxamide
CID 6021448
N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]-5-propylthiophene-3-carboxamide
CID 27484656
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3,5-dimethoxybenzamide
CID 6376855
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3-(dimethylamino)benzamide
CID 126003739
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]pyridine-4-carboxamide
CID 5404552
N-[(E)-(5-bromothiophen-2-yl)methylideneamino]pyridine-4-carboxamide
CID 6869053
3-bromo-N-[(5-ethylthiophen-2-yl)methylideneamino]benzamide
CID 4187812
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]hexanamide
CID 6167295
N-[(5-bromothiophen-2-yl)methylideneamino]-2-chlorobenzamide
CID 715930
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3-phenylpropanamide
CID 5394131
N,N'-bis[(5-bromothiophen-2-yl)methylideneamino]hexanediamide
CID 5114030
N-[(5-bromothiophen-2-yl)methylideneamino]naphthalene-1-carboxamide
CID 5185325

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methylideneamino]-5-propylthiophene-3-carboxamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methylideneamino]-5-propylthiophene-3-carboxamide (CID 5083807) is N-[(5-bromothiophen-2-yl)methylideneamino]-5-propylthiophene-3-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methylideneamino]-5-propylthiophene-3-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methylideneamino]-5-propylthiophene-3-carboxamide is CCCc1cc(C(=O)NN=Cc2ccc(Br)s2)cs1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methylideneamino]-5-propylthiophene-3-carboxamide?
The InChIKey is AQQYGJGVBPYRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2OS2/c1-2-3-10-6-9(8-18-10)13(17)16-15-7-11-4-5-12(14)19-11/h4-8H,2-3H2,1H3,(H,16,17).
What are the key properties of N-[(5-bromothiophen-2-yl)methylideneamino]-5-propylthiophene-3-carboxamide?
N-[(5-bromothiophen-2-yl)methylideneamino]-5-propylthiophene-3-carboxamide has a molecular weight of 357.30 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methylideneamino]-5-propylthiophene-3-carboxamide is sourced from PubChem (CID 5083807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).