N'-amino-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide

C6H10N4S — CID 62795006

IUPACN'-amino-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide
SMILESCc1csc(C/C(N)=N/N)n1
InChIInChI=1S/C6H10N4S/c1-4-3-11-6(9-4)2-5(7)10-8/h3H,2,8H2,1H3,(H2,7,10)
InChIKeySNFKTTHUTYQLSG-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.22
Rot. Bonds2

About N'-amino-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide

N'-amino-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide (PubChem CID 62795006) has the molecular formula C6H10N4S and a molecular weight of 170.24 g/mol. Its IUPAC name is N'-amino-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide.

Molecular Properties

Compound NameN'-amino-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide
PubChem CID62795006
Molecular FormulaC6H10N4S
Molecular Weight170.24 g/mol
Exact Mass170.06
IUPAC NameN'-amino-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide
SMILESCc1csc(C/C(N)=N/N)n1
InChIInChI=1S/C6H10N4S/c1-4-3-11-6(9-4)2-5(7)10-8/h3H,2,8H2,1H3,(H2,7,10)
InChIKeySNFKTTHUTYQLSG-UHFFFAOYSA-N
XLogP0.22
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-amino-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide?
The IUPAC name of N'-amino-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide (CID 62795006) is N'-amino-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide.
What is the SMILES notation for N'-amino-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide?
The canonical SMILES for N'-amino-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide is Cc1csc(C/C(N)=N/N)n1.
What is the InChIKey of N'-amino-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide?
The InChIKey is SNFKTTHUTYQLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4S/c1-4-3-11-6(9-4)2-5(7)10-8/h3H,2,8H2,1H3,(H2,7,10).
What are the key properties of N'-amino-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide?
N'-amino-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide has a molecular weight of 170.24 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide is sourced from PubChem (CID 62795006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).