5-methylsulfanyl-4-(2-phenyl-1,3-thiazol-4-yl)thiophene-2-carboximidamide

C15H13N3S3 — CID 18537077

IUPAC5-methylsulfanyl-4-(2-phenyl-1,3-thiazol-4-yl)thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2csc(-c3ccccc3)n2)c(SC)s1
InChIInChI=1S/C15H13N3S3/c1-19-15-10(7-12(21-15)13(16)17)11-8-20-14(18-11)9-5-3-2-4-6-9/h2-8H,1H3,(H3,16,17)
InChIKeyGDERVCXRALFKIF-UHFFFAOYSA-N
MW331.49 g/mol
LogP4.54
Rot. Bonds4

About 5-methylsulfanyl-4-(2-phenyl-1,3-thiazol-4-yl)thiophene-2-carboximidamide

5-methylsulfanyl-4-(2-phenyl-1,3-thiazol-4-yl)thiophene-2-carboximidamide (PubChem CID 18537077) has the molecular formula C15H13N3S3 and a molecular weight of 331.49 g/mol. Its IUPAC name is 5-methylsulfanyl-4-(2-phenyl-1,3-thiazol-4-yl)thiophene-2-carboximidamide.

Molecular Properties

Compound Name5-methylsulfanyl-4-(2-phenyl-1,3-thiazol-4-yl)thiophene-2-carboximidamide
PubChem CID18537077
Molecular FormulaC15H13N3S3
Molecular Weight331.49 g/mol
Exact Mass331.03
IUPAC Name5-methylsulfanyl-4-(2-phenyl-1,3-thiazol-4-yl)thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2csc(-c3ccccc3)n2)c(SC)s1
InChIInChI=1S/C15H13N3S3/c1-19-15-10(7-12(21-15)13(16)17)11-8-20-14(18-11)9-5-3-2-4-6-9/h2-8H,1H3,(H3,16,17)
InChIKeyGDERVCXRALFKIF-UHFFFAOYSA-N
XLogP4.54
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 54.54
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

2-Methyl-4-phenyl-1,3-thiazole
CID 584377
2-(2-Phenyl-1,3-thiazol-4-yl)acetonitrile
CID 223844
2-Methyl-4-(4-methylphenyl)-1,3-thiazole
CID 667561
2-[(E)-1-[4-methyl-2-[4-(2-thiophen-2-ylethynyl)phenyl]-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 155510472
2-[(E)-1-[4-methyl-2-[4-[2-(5-methylthiophen-2-yl)ethynyl]phenyl]-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 155551614
4-methyl-N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}benzenesulfonamide
CID 2812981
2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N'-hydroxyethanimidamide
CID 9583366
2-(4-Phenyl-1,3-thiazol-2-yl)ethanethioamide
CID 724012
4-Phenyl-2-thiazoleethanamine
CID 1497794
4-(5-Methylthiophen-2-yl)-1,3-thiazol-2-amine
CID 2063929
5-Methylsulfanyl-4-[2-(3-phenyl-propylamino)-thiazol-4-yl]-thiophene-2-carboxamidine
CID 9800468
5-Methylsulfanyl-4-(4-methyl-thiazol-2-yl)-thiophene-2-carboxamidine
CID 9903519

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-4-(2-phenyl-1,3-thiazol-4-yl)thiophene-2-carboximidamide?
The IUPAC name of 5-methylsulfanyl-4-(2-phenyl-1,3-thiazol-4-yl)thiophene-2-carboximidamide (CID 18537077) is 5-methylsulfanyl-4-(2-phenyl-1,3-thiazol-4-yl)thiophene-2-carboximidamide.
What is the SMILES notation for 5-methylsulfanyl-4-(2-phenyl-1,3-thiazol-4-yl)thiophene-2-carboximidamide?
The canonical SMILES for 5-methylsulfanyl-4-(2-phenyl-1,3-thiazol-4-yl)thiophene-2-carboximidamide is [H]/N=C(\N)c1cc(-c2csc(-c3ccccc3)n2)c(SC)s1.
What is the InChIKey of 5-methylsulfanyl-4-(2-phenyl-1,3-thiazol-4-yl)thiophene-2-carboximidamide?
The InChIKey is GDERVCXRALFKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S3/c1-19-15-10(7-12(21-15)13(16)17)11-8-20-14(18-11)9-5-3-2-4-6-9/h2-8H,1H3,(H3,16,17).
What are the key properties of 5-methylsulfanyl-4-(2-phenyl-1,3-thiazol-4-yl)thiophene-2-carboximidamide?
5-methylsulfanyl-4-(2-phenyl-1,3-thiazol-4-yl)thiophene-2-carboximidamide has a molecular weight of 331.49 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-4-(2-phenyl-1,3-thiazol-4-yl)thiophene-2-carboximidamide is sourced from PubChem (CID 18537077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).