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

C15H13N3OS3 — CID 10472893

IUPAC4-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2nc(-c3cccc(O)c3)cs2)c(SC)s1
InChIInChI=1S/C15H13N3OS3/c1-20-15-10(6-12(22-15)13(16)17)14-18-11(7-21-14)8-3-2-4-9(19)5-8/h2-7,19H,1H3,(H3,16,17)
InChIKeyKLVFDMVKNCAXRG-UHFFFAOYSA-N
MW347.49 g/mol
LogP4.25
Rot. Bonds4

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

4-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide (PubChem CID 10472893) has the molecular formula C15H13N3OS3 and a molecular weight of 347.49 g/mol. Its IUPAC name is 4-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide.

Molecular Properties

Compound Name4-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide
PubChem CID10472893
Molecular FormulaC15H13N3OS3
Molecular Weight347.49 g/mol
Exact Mass347.02
IUPAC Name4-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2nc(-c3cccc(O)c3)cs2)c(SC)s1
InChIInChI=1S/C15H13N3OS3/c1-20-15-10(6-12(22-15)13(16)17)14-18-11(7-21-14)8-3-2-4-9(19)5-8/h2-7,19H,1H3,(H3,16,17)
InChIKeyKLVFDMVKNCAXRG-UHFFFAOYSA-N
XLogP4.25
TPSA82.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 54.25
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'}

Analyze 4-[4-(3-hydroxyphenyl)-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

3-[2-(3-Hydroxyphenyl)-1,3-thiazol-4-yl]phenol
CID 25093377
3-(2-Amino-1,3-thiazol-4-yl)phenol
CID 1497786
4-[2-(3-Hydroxyphenyl)-1,3-thiazol-4-yl]phenol
CID 25093376
2-(2-Phenyl-1,3-thiazol-4-yl)phenol
CID 800850
4-[4-(3-Methoxy-phenyl)-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxamidine
CID 9822176
4-[4-(4-Methoxy-phenyl)-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxamidine
CID 18537037
4-[4-(2-Methoxy-phenyl)-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxamidine
CID 18537198
3-[2-(4-Hydroxyphenyl)-1,3-thiazol-4-yl]phenol
CID 135899472
(5Z)-5-[[2-(3-hydroxyphenyl)-1,3-thiazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 137645829
5-(4-Methoxy-benzylsulfanyl)-4-(4-phenyl-thiazol-2-yl)-thiophene-2-carboxamidine
CID 44363903
3-(2-Methylthiazol-4-yl)phenol
CID 23289294
4-(3-hydroxyphenyl)-6-methyl-5-[4-(2-thienyl)thiazol-2-yl]-3,4-dihydro-1H-pyrimidin-2-one
CID 71292583

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide?
The IUPAC name of 4-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide (CID 10472893) is 4-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide.
What is the SMILES notation for 4-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide?
The canonical SMILES for 4-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide is [H]/N=C(\N)c1cc(-c2nc(-c3cccc(O)c3)cs2)c(SC)s1.
What is the InChIKey of 4-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide?
The InChIKey is KLVFDMVKNCAXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS3/c1-20-15-10(6-12(22-15)13(16)17)14-18-11(7-21-14)8-3-2-4-9(19)5-8/h2-7,19H,1H3,(H3,16,17).
What are the key properties of 4-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide?
4-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide has a molecular weight of 347.49 g/mol, XLogP of 4.25, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide is sourced from PubChem (CID 10472893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).