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

C19H15N3S3 — CID 57083497

IUPAC4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methylsulfanyl]thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(SCc2nc(-c3ccc4ccccc4c3)cs2)cs1
InChIInChI=1S/C19H15N3S3/c20-19(21)17-8-15(9-24-17)23-11-18-22-16(10-25-18)14-6-5-12-3-1-2-4-13(12)7-14/h1-10H,11H2,(H3,20,21)
InChIKeyDGKFOVBRRPWEPL-UHFFFAOYSA-N
MW381.55 g/mol
LogP5.60
Rot. Bonds5

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

4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methylsulfanyl]thiophene-2-carboximidamide (PubChem CID 57083497) has the molecular formula C19H15N3S3 and a molecular weight of 381.55 g/mol. Its IUPAC name is 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methylsulfanyl]thiophene-2-carboximidamide.

Molecular Properties

Compound Name4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methylsulfanyl]thiophene-2-carboximidamide
PubChem CID57083497
Molecular FormulaC19H15N3S3
Molecular Weight381.55 g/mol
Exact Mass381.04
IUPAC Name4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methylsulfanyl]thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(SCc2nc(-c3ccc4ccccc4c3)cs2)cs1
InChIInChI=1S/C19H15N3S3/c20-19(21)17-8-15(9-24-17)23-11-18-22-16(10-25-18)14-6-5-12-3-1-2-4-13(12)7-14/h1-10H,11H2,(H3,20,21)
InChIKeyDGKFOVBRRPWEPL-UHFFFAOYSA-N
XLogP5.60
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.55
LogP ≤ 55.60
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-[4-(benzenesulfonamido)phenyl]-1,3-thiazol-2-yl]methylsulfanyl]thiophene-2-carboxylic acid
CID 54533529
3-[(4-phenyl-1,3-thiazol-2-yl)methylsulfanyl]aniline
CID 71670229
4-(3-bromophenyl)-2-[(4-methylphenyl)sulfanylmethyl]-1,3-thiazole
CID 79832250
4-[2-[(3-bromophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]aniline
CID 66161211
4-[2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]aniline
CID 66144973
2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)guanidine;hydrochloride
CID 24854754
2-[2-[(4-methylphenyl)sulfanylmethyl]-1,3-thiazol-4-yl]aniline
CID 66066798
4-naphthalen-2-yl-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84566788
3-[2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]aniline
CID 66073148
2-(1H-imidazol-5-ylmethyl)-4-naphthalen-2-yl-1,3-thiazole
CID 57231798
2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione;hydrobromide
CID 52988773
methyl 4-[[4-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]methylsulfanyl]thiophene-2-carboxylate
CID 54191075

Frequently Asked Questions

What is the IUPAC name of 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methylsulfanyl]thiophene-2-carboximidamide?
The IUPAC name of 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methylsulfanyl]thiophene-2-carboximidamide (CID 57083497) is 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methylsulfanyl]thiophene-2-carboximidamide.
What is the SMILES notation for 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methylsulfanyl]thiophene-2-carboximidamide?
The canonical SMILES for 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methylsulfanyl]thiophene-2-carboximidamide is [H]/N=C(\N)c1cc(SCc2nc(-c3ccc4ccccc4c3)cs2)cs1.
What is the InChIKey of 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methylsulfanyl]thiophene-2-carboximidamide?
The InChIKey is DGKFOVBRRPWEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3S3/c20-19(21)17-8-15(9-24-17)23-11-18-22-16(10-25-18)14-6-5-12-3-1-2-4-13(12)7-14/h1-10H,11H2,(H3,20,21).
What are the key properties of 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methylsulfanyl]thiophene-2-carboximidamide?
4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methylsulfanyl]thiophene-2-carboximidamide has a molecular weight of 381.55 g/mol, XLogP of 5.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methylsulfanyl]thiophene-2-carboximidamide is sourced from PubChem (CID 57083497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).