N-imino-1,3-thiazole-2-carboximidamide

C4H4N4S — CID 142807438

IUPACN-imino-1,3-thiazole-2-carboximidamide
SMILES[H]/N=C(\N=N\[H])c1nccs1
InChIInChI=1S/C4H4N4S/c5-3(8-6)4-7-1-2-9-4/h1-2,5-6H/b5-3-,8-6+
InChIKeyRPPROTWUIDOKIX-CUKJDEOPSA-N
MW140.17 g/mol
LogP1.50
Rot. Bonds1

About N-imino-1,3-thiazole-2-carboximidamide

N-imino-1,3-thiazole-2-carboximidamide (PubChem CID 142807438) has the molecular formula C4H4N4S and a molecular weight of 140.17 g/mol. Its IUPAC name is N-imino-1,3-thiazole-2-carboximidamide.

Molecular Properties

Compound NameN-imino-1,3-thiazole-2-carboximidamide
PubChem CID142807438
Molecular FormulaC4H4N4S
Molecular Weight140.17 g/mol
Exact Mass140.02
IUPAC NameN-imino-1,3-thiazole-2-carboximidamide
SMILES[H]/N=C(\N=N\[H])c1nccs1
InChIInChI=1S/C4H4N4S/c5-3(8-6)4-7-1-2-9-4/h1-2,5-6H/b5-3-,8-6+
InChIKeyRPPROTWUIDOKIX-CUKJDEOPSA-N
XLogP1.50
TPSA72.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.17
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-imino-1,3-thiazole-2-carboximidamide?
The IUPAC name of N-imino-1,3-thiazole-2-carboximidamide (CID 142807438) is N-imino-1,3-thiazole-2-carboximidamide.
What is the SMILES notation for N-imino-1,3-thiazole-2-carboximidamide?
The canonical SMILES for N-imino-1,3-thiazole-2-carboximidamide is [H]/N=C(\N=N\[H])c1nccs1.
What is the InChIKey of N-imino-1,3-thiazole-2-carboximidamide?
The InChIKey is RPPROTWUIDOKIX-CUKJDEOPSA-N. The full InChI is InChI=1S/C4H4N4S/c5-3(8-6)4-7-1-2-9-4/h1-2,5-6H/b5-3-,8-6+.
What are the key properties of N-imino-1,3-thiazole-2-carboximidamide?
N-imino-1,3-thiazole-2-carboximidamide has a molecular weight of 140.17 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-imino-1,3-thiazole-2-carboximidamide is sourced from PubChem (CID 142807438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).