N'-[4-[[(2-sulfanylanilino)methylideneamino]methyl]phenyl]thiophene-2-carboximidamide

C19H18N4S2 — CID 54298600

IUPACN'-[4-[[(2-sulfanylanilino)methylideneamino]methyl]phenyl]thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc(C/N=C/Nc2ccccc2S)cc1)c1cccs1
InChIInChI=1S/C19H18N4S2/c20-19(18-6-3-11-25-18)23-15-9-7-14(8-10-15)12-21-13-22-16-4-1-2-5-17(16)24/h1-11,13,24H,12H2,(H2,20,23)(H,21,22)
InChIKeySCOBOBKVBSWMME-UHFFFAOYSA-N
MW366.52 g/mol
LogP4.71
Rot. Bonds6

About N'-[4-[[(2-sulfanylanilino)methylideneamino]methyl]phenyl]thiophene-2-carboximidamide

N'-[4-[[(2-sulfanylanilino)methylideneamino]methyl]phenyl]thiophene-2-carboximidamide (PubChem CID 54298600) has the molecular formula C19H18N4S2 and a molecular weight of 366.52 g/mol. Its IUPAC name is N'-[4-[[(2-sulfanylanilino)methylideneamino]methyl]phenyl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[4-[[(2-sulfanylanilino)methylideneamino]methyl]phenyl]thiophene-2-carboximidamide
PubChem CID54298600
Molecular FormulaC19H18N4S2
Molecular Weight366.52 g/mol
Exact Mass366.10
IUPAC NameN'-[4-[[(2-sulfanylanilino)methylideneamino]methyl]phenyl]thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc(C/N=C/Nc2ccccc2S)cc1)c1cccs1
InChIInChI=1S/C19H18N4S2/c20-19(18-6-3-11-25-18)23-15-9-7-14(8-10-15)12-21-13-22-16-4-1-2-5-17(16)24/h1-11,13,24H,12H2,(H2,20,23)(H,21,22)
InChIKeySCOBOBKVBSWMME-UHFFFAOYSA-N
XLogP4.71
TPSA62.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.52
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide
CID 54405425
N'-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]phenyl]thiophene-2-carboximidamide
CID 10193503
4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-N-(2-anilinophenyl)butanamide
CID 15462191
2-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide;hydrochloride
CID 142649841
N'-[4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenoxy]phenyl]thiophene-2-carboximidamide
CID 11200925
N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide
CID 19353828
N'-[4-[2-(3-phenylprop-2-enylamino)ethyl]phenyl]thiophene-2-carboximidamide;hydroiodide
CID 69027776
N'-[4-[2-(pyrimidin-2-ylamino)ethyl]phenyl]thiophene-2-carboximidamide
CID 18976244
N'-[4-[[cyanomethyl(methyl)amino]methyl]phenyl]thiophene-2-carboximidamide
CID 22225903
1-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-3-phenylurea
CID 18976281
N'-[4-[4-(4-anilinoanilino)butyl]phenyl]thiophene-2-carboximidamide
CID 22646381
N'-[4-(3-aminobutan-2-yl)phenyl]thiophene-2-carboximidamide
CID 142085142

Frequently Asked Questions

What is the IUPAC name of N'-[4-[[(2-sulfanylanilino)methylideneamino]methyl]phenyl]thiophene-2-carboximidamide?
The IUPAC name of N'-[4-[[(2-sulfanylanilino)methylideneamino]methyl]phenyl]thiophene-2-carboximidamide (CID 54298600) is N'-[4-[[(2-sulfanylanilino)methylideneamino]methyl]phenyl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[4-[[(2-sulfanylanilino)methylideneamino]methyl]phenyl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[4-[[(2-sulfanylanilino)methylideneamino]methyl]phenyl]thiophene-2-carboximidamide is N/C(=N\c1ccc(C/N=C/Nc2ccccc2S)cc1)c1cccs1.
What is the InChIKey of N'-[4-[[(2-sulfanylanilino)methylideneamino]methyl]phenyl]thiophene-2-carboximidamide?
The InChIKey is SCOBOBKVBSWMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4S2/c20-19(18-6-3-11-25-18)23-15-9-7-14(8-10-15)12-21-13-22-16-4-1-2-5-17(16)24/h1-11,13,24H,12H2,(H2,20,23)(H,21,22).
What are the key properties of N'-[4-[[(2-sulfanylanilino)methylideneamino]methyl]phenyl]thiophene-2-carboximidamide?
N'-[4-[[(2-sulfanylanilino)methylideneamino]methyl]phenyl]thiophene-2-carboximidamide has a molecular weight of 366.52 g/mol, XLogP of 4.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[[(2-sulfanylanilino)methylideneamino]methyl]phenyl]thiophene-2-carboximidamide is sourced from PubChem (CID 54298600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).