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

C19H15N3S3 — CID 18537298

IUPAC5-methylsulfanyl-4-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2nc(-c3ccc4ccccc4c3)cs2)c(SC)s1
InChIInChI=1S/C19H15N3S3/c1-23-19-14(9-16(25-19)17(20)21)18-22-15(10-24-18)13-7-6-11-4-2-3-5-12(11)8-13/h2-10H,1H3,(H3,20,21)
InChIKeyCKYREKXNBZFCFF-UHFFFAOYSA-N
MW381.55 g/mol
LogP5.70
Rot. Bonds4

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

5-methylsulfanyl-4-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiophene-2-carboximidamide (PubChem CID 18537298) has the molecular formula C19H15N3S3 and a molecular weight of 381.55 g/mol. Its IUPAC name is 5-methylsulfanyl-4-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiophene-2-carboximidamide.

Molecular Properties

Compound Name5-methylsulfanyl-4-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiophene-2-carboximidamide
PubChem CID18537298
Molecular FormulaC19H15N3S3
Molecular Weight381.55 g/mol
Exact Mass381.04
IUPAC Name5-methylsulfanyl-4-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2nc(-c3ccc4ccccc4c3)cs2)c(SC)s1
InChIInChI=1S/C19H15N3S3/c1-23-19-14(9-16(25-19)17(20)21)18-22-15(10-24-18)13-7-6-11-4-2-3-5-12(11)8-13/h2-10H,1H3,(H3,20,21)
InChIKeyCKYREKXNBZFCFF-UHFFFAOYSA-N
XLogP5.70
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.55
LogP ≤ 55.70
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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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-4-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiophene-2-carboximidamide?
The IUPAC name of 5-methylsulfanyl-4-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiophene-2-carboximidamide (CID 18537298) is 5-methylsulfanyl-4-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiophene-2-carboximidamide.
What is the SMILES notation for 5-methylsulfanyl-4-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiophene-2-carboximidamide?
The canonical SMILES for 5-methylsulfanyl-4-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiophene-2-carboximidamide is [H]/N=C(\N)c1cc(-c2nc(-c3ccc4ccccc4c3)cs2)c(SC)s1.
What is the InChIKey of 5-methylsulfanyl-4-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiophene-2-carboximidamide?
The InChIKey is CKYREKXNBZFCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3S3/c1-23-19-14(9-16(25-19)17(20)21)18-22-15(10-24-18)13-7-6-11-4-2-3-5-12(11)8-13/h2-10H,1H3,(H3,20,21).
What are the key properties of 5-methylsulfanyl-4-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiophene-2-carboximidamide?
5-methylsulfanyl-4-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiophene-2-carboximidamide has a molecular weight of 381.55 g/mol, XLogP of 5.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-4-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiophene-2-carboximidamide is sourced from PubChem (CID 18537298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).