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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Amino-4-(4-methoxyphenyl)thiazole
CID 159644
4-(3-Fluoro-4-methoxyphenyl)-2-thiazolamine
CID 2759006
4-(4-(4-Methoxyphenyl)thiazol-2-yl)phenol
CID 829532
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine
CID 3780371
4-(2,4-Dimethoxyphenyl)-2-thiophen-2-yl-1,3-thiazole
CID 2468633
4-(4-Methoxy-phenyl)-2-(2-methyl-tetrahydro-pyran-4-yl)-thiazole
CID 16682543
4-[4-(3-Methoxy-phenyl)-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxamidine
CID 9822176
4-(4-Benzo[1,3]dioxol-5-yl-thiazol-2-yl)-5-methylsulfanyl-thiophene-2-carboxamidine
CID 10248900
4-[4-(3-Hydroxy-phenyl)-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxamidine
CID 10472893
5-Methoxy-4-(4-phenyl-thiazol-2-yl)-thiophene-2-carboxamidine
CID 18536936
4-[4-(2-Methoxy-phenyl)-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxamidine
CID 18537198
4-[4-(3,4-Dimethoxy-phenyl)-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxamidine
CID 18537289

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).