N'-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-2-yl)ethyl]phenyl]thiophene-2-carboximidamide

C16H18N4OS2 — CID 70135395

IUPACN'-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-2-yl)ethyl]phenyl]thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc(C(N)C(=O)C2NCCS2)cc1)c1cccs1
InChIInChI=1S/C16H18N4OS2/c17-13(14(21)16-19-7-9-23-16)10-3-5-11(6-4-10)20-15(18)12-2-1-8-22-12/h1-6,8,13,16,19H,7,9,17H2,(H2,18,20)
InChIKeyUJTWXQABAAJEGA-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.02
Rot. Bonds5

About N'-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-2-yl)ethyl]phenyl]thiophene-2-carboximidamide

N'-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-2-yl)ethyl]phenyl]thiophene-2-carboximidamide (PubChem CID 70135395) has the molecular formula C16H18N4OS2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N'-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-2-yl)ethyl]phenyl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-2-yl)ethyl]phenyl]thiophene-2-carboximidamide
PubChem CID70135395
Molecular FormulaC16H18N4OS2
Molecular Weight346.48 g/mol
Exact Mass346.09
IUPAC NameN'-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-2-yl)ethyl]phenyl]thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc(C(N)C(=O)C2NCCS2)cc1)c1cccs1
InChIInChI=1S/C16H18N4OS2/c17-13(14(21)16-19-7-9-23-16)10-3-5-11(6-4-10)20-15(18)12-2-1-8-22-12/h1-6,8,13,16,19H,7,9,17H2,(H2,18,20)
InChIKeyUJTWXQABAAJEGA-UHFFFAOYSA-N
XLogP2.02
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-2-yl)ethyl]phenyl]thiophene-2-carboximidamide;(E)-but-2-enedioic acid
CID 70135394
N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide
CID 54405425
N'-[4-(3-aminobutan-2-yl)phenyl]thiophene-2-carboximidamide
CID 142085142
N'-[4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenoxy]phenyl]thiophene-2-carboximidamide
CID 11200925
4-[[amino(thiophen-2-yl)methylidene]amino]-N-phenylbenzamide
CID 19353808
N'-(2-amino-2,3-dihydro-1H-inden-5-yl)thiophene-2-carboximidamide
CID 15871446
N'-[4-[2-[(2-oxo-1H-pyridin-4-yl)methylamino]ethyl]phenyl]thiophene-2-carboximidamide
CID 70204881
N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide
CID 19353828
2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-1,3-thiazole-4-carboxamide
CID 154489738
N-[4-[[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethylamino]methyl]phenyl]acetamide
CID 18765781
3-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-1,1-diphenylurea
CID 19353824
N'-(3-propan-2-yl-1H-indol-5-yl)thiophene-2-carboximidamide
CID 89354304

Frequently Asked Questions

What is the IUPAC name of N'-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-2-yl)ethyl]phenyl]thiophene-2-carboximidamide?
The IUPAC name of N'-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-2-yl)ethyl]phenyl]thiophene-2-carboximidamide (CID 70135395) is N'-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-2-yl)ethyl]phenyl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-2-yl)ethyl]phenyl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-2-yl)ethyl]phenyl]thiophene-2-carboximidamide is N/C(=N\c1ccc(C(N)C(=O)C2NCCS2)cc1)c1cccs1.
What is the InChIKey of N'-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-2-yl)ethyl]phenyl]thiophene-2-carboximidamide?
The InChIKey is UJTWXQABAAJEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS2/c17-13(14(21)16-19-7-9-23-16)10-3-5-11(6-4-10)20-15(18)12-2-1-8-22-12/h1-6,8,13,16,19H,7,9,17H2,(H2,18,20).
What are the key properties of N'-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-2-yl)ethyl]phenyl]thiophene-2-carboximidamide?
N'-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-2-yl)ethyl]phenyl]thiophene-2-carboximidamide has a molecular weight of 346.48 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-2-yl)ethyl]phenyl]thiophene-2-carboximidamide is sourced from PubChem (CID 70135395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).