N-[[4-(dimethylamino)phenyl]methylideneamino]thiophene-2-carboxamide

C14H15N3OS — CID 773960

IUPACN-[[4-(dimethylamino)phenyl]methylideneamino]thiophene-2-carboxamide
SMILESCN(C)c1ccc(C=NNC(=O)c2cccs2)cc1
InChIInChI=1S/C14H15N3OS/c1-17(2)12-7-5-11(6-8-12)10-15-16-14(18)13-4-3-9-19-13/h3-10H,1-2H3,(H,16,18)
InChIKeyKVHSVRRYQRQTGT-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.58
Rot. Bonds4

About N-[[4-(dimethylamino)phenyl]methylideneamino]thiophene-2-carboxamide

N-[[4-(dimethylamino)phenyl]methylideneamino]thiophene-2-carboxamide (PubChem CID 773960) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methylideneamino]thiophene-2-carboxamide
PubChem CID773960
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC NameN-[[4-(dimethylamino)phenyl]methylideneamino]thiophene-2-carboxamide
SMILESCN(C)c1ccc(C=NNC(=O)c2cccs2)cc1
InChIInChI=1S/C14H15N3OS/c1-17(2)12-7-5-11(6-8-12)10-15-16-14(18)13-4-3-9-19-13/h3-10H,1-2H3,(H,16,18)
InChIKeyKVHSVRRYQRQTGT-UHFFFAOYSA-N
XLogP2.58
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.58
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-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 6869036
N-[[4-(dipropylamino)phenyl]methylideneamino]thiophene-2-carboxamide
CID 1215797
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiophene-2-carboxamide
CID 5402047
N-[(E)-(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide
CID 6878439
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-methylthiophene-2-carboxamide
CID 5412074
N-[(E)-(4-nitrophenyl)methylideneamino]thiophene-2-carboxamide
CID 6869209
[4-[4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl]phenyl] acetate
CID 1177176
1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]urea
CID 5355984
4-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 5335033
N-[(3,5-dimethoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 2643472
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide;hydrate
CID 21230438
N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiophene-2-carboxamide
CID 6906036

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methylideneamino]thiophene-2-carboxamide (CID 773960) is N-[[4-(dimethylamino)phenyl]methylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methylideneamino]thiophene-2-carboxamide is CN(C)c1ccc(C=NNC(=O)c2cccs2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methylideneamino]thiophene-2-carboxamide?
The InChIKey is KVHSVRRYQRQTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-17(2)12-7-5-11(6-8-12)10-15-16-14(18)13-4-3-9-19-13/h3-10H,1-2H3,(H,16,18).
What are the key properties of N-[[4-(dimethylamino)phenyl]methylideneamino]thiophene-2-carboxamide?
N-[[4-(dimethylamino)phenyl]methylideneamino]thiophene-2-carboxamide has a molecular weight of 273.36 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 773960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).