N'-(1,3-thiazol-4-yl)methanimidamide

C4H5N3S — CID 66769684

IUPACN'-(1,3-thiazol-4-yl)methanimidamide
SMILESNC=Nc1cscn1
InChIInChI=1S/C4H5N3S/c5-2-6-4-1-8-3-7-4/h1-3H,(H2,5,6)
InChIKeyCJGMPIULYVDHKP-UHFFFAOYSA-N
MW127.17 g/mol
LogP0.76
Rot. Bonds1

About N'-(1,3-thiazol-4-yl)methanimidamide

N'-(1,3-thiazol-4-yl)methanimidamide (PubChem CID 66769684) has the molecular formula C4H5N3S and a molecular weight of 127.17 g/mol. Its IUPAC name is N'-(1,3-thiazol-4-yl)methanimidamide.

Molecular Properties

Compound NameN'-(1,3-thiazol-4-yl)methanimidamide
PubChem CID66769684
Molecular FormulaC4H5N3S
Molecular Weight127.17 g/mol
Exact Mass127.02
IUPAC NameN'-(1,3-thiazol-4-yl)methanimidamide
SMILESNC=Nc1cscn1
InChIInChI=1S/C4H5N3S/c5-2-6-4-1-8-3-7-4/h1-3H,(H2,5,6)
InChIKeyCJGMPIULYVDHKP-UHFFFAOYSA-N
XLogP0.76
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.17
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Thiazol-4-amine
CID 14009640
N-methyl-1,3-thiazol-4-amine
CID 18730104
Thiazol-4-yl methoxyamine
CID 21128676
4-Hydrazinylthiazole
CID 53675937
4-Sulfonylaminothiazole
CID 129755790
4-Aminothiazole hydrobromide
CID 84618248
Aminoformiminothiazole
CID 129780901
2-(1,3-Thiazol-4-yl)guanidine
CID 18184088
N,N-dimethyl-1,3-thiazol-4-amine
CID 18730109
N-(1,3-thiazol-4-yl)formamide
CID 20294029
4-Thiazolamine, N-ethyl-
CID 45121856
N-(1,3-thiazol-4-yl)hydroxylamine
CID 53689204

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-thiazol-4-yl)methanimidamide?
The IUPAC name of N'-(1,3-thiazol-4-yl)methanimidamide (CID 66769684) is N'-(1,3-thiazol-4-yl)methanimidamide.
What is the SMILES notation for N'-(1,3-thiazol-4-yl)methanimidamide?
The canonical SMILES for N'-(1,3-thiazol-4-yl)methanimidamide is NC=Nc1cscn1.
What is the InChIKey of N'-(1,3-thiazol-4-yl)methanimidamide?
The InChIKey is CJGMPIULYVDHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3S/c5-2-6-4-1-8-3-7-4/h1-3H,(H2,5,6).
What are the key properties of N'-(1,3-thiazol-4-yl)methanimidamide?
N'-(1,3-thiazol-4-yl)methanimidamide has a molecular weight of 127.17 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-thiazol-4-yl)methanimidamide is sourced from PubChem (CID 66769684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).