4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methylsulfinylthiophene-2-carboximidamide

C15H12ClN3OS3 — CID 18537281

IUPAC4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methylsulfinylthiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2nc(-c3ccc(Cl)cc3)cs2)c(S(C)=O)s1
InChIInChI=1S/C15H12ClN3OS3/c1-23(20)15-10(6-12(22-15)13(17)18)14-19-11(7-21-14)8-2-4-9(16)5-3-8/h2-7H,1H3,(H3,17,18)
InChIKeyFGEPGZOWAMUQGG-UHFFFAOYSA-N
MW381.94 g/mol
LogP4.21
Rot. Bonds4

About 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methylsulfinylthiophene-2-carboximidamide

4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methylsulfinylthiophene-2-carboximidamide (PubChem CID 18537281) has the molecular formula C15H12ClN3OS3 and a molecular weight of 381.94 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methylsulfinylthiophene-2-carboximidamide.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methylsulfinylthiophene-2-carboximidamide
PubChem CID18537281
Molecular FormulaC15H12ClN3OS3
Molecular Weight381.94 g/mol
Exact Mass380.98
IUPAC Name4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methylsulfinylthiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2nc(-c3ccc(Cl)cc3)cs2)c(S(C)=O)s1
InChIInChI=1S/C15H12ClN3OS3/c1-23(20)15-10(6-12(22-15)13(17)18)14-19-11(7-21-14)8-2-4-9(16)5-3-8/h2-7H,1H3,(H3,17,18)
InChIKeyFGEPGZOWAMUQGG-UHFFFAOYSA-N
XLogP4.21
TPSA79.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.94
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(4-Chlorophenyl)-2-methyl-1,3-thiazole
CID 698890
2-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]ethanethioamide
CID 2350672
4-[4-(4-Chloro-phenyl)-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxamidine
CID 9929077
5-Ethyl-4-(4-phenyl-thiazol-2-yl)-thiophene-2-carboxamidine
CID 10335742
5-Methyl-4-(4-phenyl-thiazol-2-yl)-thiophene-2-carboxamidine
CID 10424840
5-Methylsulfanyl-4-(4-o-tolyl-thiazol-2-yl)-thiophene-2-carboxamidine
CID 18536877
5-Methylsulfanyl-4-(4-p-tolyl-thiazol-2-yl)-thiophene-2-carboxamidine
CID 18536880
5-Methylsulfanyl-4-(4-phenyl-thiazol-2-yl)-thiophene-2-carboxamidine
CID 18536889
5-Methylsulfanyl-4-(4-m-tolyl-thiazol-2-yl)-thiophene-2-carboxamidine
CID 18537029
5-Methylsulfanyl-4-(2-phenyl-thiazol-4-yl)-thiophene-2-carboxamidine
CID 18537077
4-[4-(4-Chloro-3-nitro-phenyl)-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxamidine
CID 18537287
5-chloro-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 5310037

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methylsulfinylthiophene-2-carboximidamide?
The IUPAC name of 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methylsulfinylthiophene-2-carboximidamide (CID 18537281) is 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methylsulfinylthiophene-2-carboximidamide.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methylsulfinylthiophene-2-carboximidamide?
The canonical SMILES for 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methylsulfinylthiophene-2-carboximidamide is [H]/N=C(\N)c1cc(-c2nc(-c3ccc(Cl)cc3)cs2)c(S(C)=O)s1.
What is the InChIKey of 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methylsulfinylthiophene-2-carboximidamide?
The InChIKey is FGEPGZOWAMUQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3OS3/c1-23(20)15-10(6-12(22-15)13(17)18)14-19-11(7-21-14)8-2-4-9(16)5-3-8/h2-7H,1H3,(H3,17,18).
What are the key properties of 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methylsulfinylthiophene-2-carboximidamide?
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methylsulfinylthiophene-2-carboximidamide has a molecular weight of 381.94 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methylsulfinylthiophene-2-carboximidamide is sourced from PubChem (CID 18537281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).