4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide

C16H15N3OS3 — CID 18537037

IUPAC4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2nc(-c3ccc(OC)cc3)cs2)c(SC)s1
InChIInChI=1S/C16H15N3OS3/c1-20-10-5-3-9(4-6-10)12-8-22-15(19-12)11-7-13(14(17)18)23-16(11)21-2/h3-8H,1-2H3,(H3,17,18)
InChIKeyFLKQFRKNGNJBNP-UHFFFAOYSA-N
MW361.52 g/mol
LogP4.55
Rot. Bonds5

About 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide

4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide (PubChem CID 18537037) has the molecular formula C16H15N3OS3 and a molecular weight of 361.52 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide
PubChem CID18537037
Molecular FormulaC16H15N3OS3
Molecular Weight361.52 g/mol
Exact Mass361.04
IUPAC Name4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2nc(-c3ccc(OC)cc3)cs2)c(SC)s1
InChIInChI=1S/C16H15N3OS3/c1-20-10-5-3-9(4-6-10)12-8-22-15(19-12)11-7-13(14(17)18)23-16(11)21-2/h3-8H,1-2H3,(H3,17,18)
InChIKeyFLKQFRKNGNJBNP-UHFFFAOYSA-N
XLogP4.55
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.52
LogP ≤ 54.55
H-Bond Donors ≤ 52
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-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide?
The IUPAC name of 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide (CID 18537037) is 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide?
The canonical SMILES for 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide is [H]/N=C(\N)c1cc(-c2nc(-c3ccc(OC)cc3)cs2)c(SC)s1.
What is the InChIKey of 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide?
The InChIKey is FLKQFRKNGNJBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS3/c1-20-10-5-3-9(4-6-10)12-8-22-15(19-12)11-7-13(14(17)18)23-16(11)21-2/h3-8H,1-2H3,(H3,17,18).
What are the key properties of 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide?
4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide has a molecular weight of 361.52 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide is sourced from PubChem (CID 18537037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).