4-(2-amino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboximidamide

C9H10N4S3 — CID 18536809

IUPAC4-(2-amino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2csc(N)n2)c(SC)s1
InChIInChI=1S/C9H10N4S3/c1-14-8-4(2-6(16-8)7(10)11)5-3-15-9(12)13-5/h2-3H,1H3,(H3,10,11)(H2,12,13)
InChIKeyQPXOEZUECRCZMU-UHFFFAOYSA-N
MW270.41 g/mol
LogP2.46
Rot. Bonds3

About 4-(2-amino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboximidamide

4-(2-amino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboximidamide (PubChem CID 18536809) has the molecular formula C9H10N4S3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 4-(2-amino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboximidamide.

Molecular Properties

Compound Name4-(2-amino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboximidamide
PubChem CID18536809
Molecular FormulaC9H10N4S3
Molecular Weight270.41 g/mol
Exact Mass270.01
IUPAC Name4-(2-amino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2csc(N)n2)c(SC)s1
InChIInChI=1S/C9H10N4S3/c1-14-8-4(2-6(16-8)7(10)11)5-3-15-9(12)13-5/h2-3H,1H3,(H3,10,11)(H2,12,13)
InChIKeyQPXOEZUECRCZMU-UHFFFAOYSA-N
XLogP2.46
TPSA88.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 52.46
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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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboximidamide?
The IUPAC name of 4-(2-amino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboximidamide (CID 18536809) is 4-(2-amino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboximidamide.
What is the SMILES notation for 4-(2-amino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboximidamide?
The canonical SMILES for 4-(2-amino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboximidamide is [H]/N=C(\N)c1cc(-c2csc(N)n2)c(SC)s1.
What is the InChIKey of 4-(2-amino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboximidamide?
The InChIKey is QPXOEZUECRCZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S3/c1-14-8-4(2-6(16-8)7(10)11)5-3-15-9(12)13-5/h2-3H,1H3,(H3,10,11)(H2,12,13).
What are the key properties of 4-(2-amino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboximidamide?
4-(2-amino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboximidamide has a molecular weight of 270.41 g/mol, XLogP of 2.46, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboximidamide is sourced from PubChem (CID 18536809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).