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

C15H14N4S3 — CID 18537308

IUPAC4-(2-anilino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2csc(Nc3ccccc3)n2)c(SC)s1
InChIInChI=1S/C15H14N4S3/c1-20-14-10(7-12(22-14)13(16)17)11-8-21-15(19-11)18-9-5-3-2-4-6-9/h2-8H,1H3,(H3,16,17)(H,18,19)
InChIKeyBOBLTMKWXURBGT-UHFFFAOYSA-N
MW346.51 g/mol
LogP4.62
Rot. Bonds5

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

4-(2-anilino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboximidamide (PubChem CID 18537308) has the molecular formula C15H14N4S3 and a molecular weight of 346.51 g/mol. Its IUPAC name is 4-(2-anilino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboximidamide.

Molecular Properties

Compound Name4-(2-anilino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboximidamide
PubChem CID18537308
Molecular FormulaC15H14N4S3
Molecular Weight346.51 g/mol
Exact Mass346.04
IUPAC Name4-(2-anilino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2csc(Nc3ccccc3)n2)c(SC)s1
InChIInChI=1S/C15H14N4S3/c1-20-14-10(7-12(22-14)13(16)17)11-8-21-15(19-11)18-9-5-3-2-4-6-9/h2-8H,1H3,(H3,16,17)(H,18,19)
InChIKeyBOBLTMKWXURBGT-UHFFFAOYSA-N
XLogP4.62
TPSA74.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.51
LogP ≤ 54.62
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-anilino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboximidamide?
The IUPAC name of 4-(2-anilino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboximidamide (CID 18537308) is 4-(2-anilino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboximidamide.
What is the SMILES notation for 4-(2-anilino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboximidamide?
The canonical SMILES for 4-(2-anilino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboximidamide is [H]/N=C(\N)c1cc(-c2csc(Nc3ccccc3)n2)c(SC)s1.
What is the InChIKey of 4-(2-anilino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboximidamide?
The InChIKey is BOBLTMKWXURBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S3/c1-20-14-10(7-12(22-14)13(16)17)11-8-21-15(19-11)18-9-5-3-2-4-6-9/h2-8H,1H3,(H3,16,17)(H,18,19).
What are the key properties of 4-(2-anilino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboximidamide?
4-(2-anilino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboximidamide has a molecular weight of 346.51 g/mol, XLogP of 4.62, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-anilino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboximidamide is sourced from PubChem (CID 18537308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).