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

C16H15N3S2 — CID 10335742

IUPAC5-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2nc(-c3ccccc3)cs2)c(CC)s1
InChIInChI=1S/C16H15N3S2/c1-2-13-11(8-14(21-13)15(17)18)16-19-12(9-20-16)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H3,17,18)
InChIKeyBWSMAMUETYWTOR-UHFFFAOYSA-N
MW313.45 g/mol
LogP4.39
Rot. Bonds4

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

5-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide (PubChem CID 10335742) has the molecular formula C16H15N3S2 and a molecular weight of 313.45 g/mol. Its IUPAC name is 5-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide.

Molecular Properties

Compound Name5-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide
PubChem CID10335742
Molecular FormulaC16H15N3S2
Molecular Weight313.45 g/mol
Exact Mass313.07
IUPAC Name5-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2nc(-c3ccccc3)cs2)c(CC)s1
InChIInChI=1S/C16H15N3S2/c1-2-13-11(8-14(21-13)15(17)18)16-19-12(9-20-16)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H3,17,18)
InChIKeyBWSMAMUETYWTOR-UHFFFAOYSA-N
XLogP4.39
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
3-(2-Methyl-thiazol-4-yl)-phenylamine
CID 736535
2-Methyl-4-(4-aminophenyl)thiazole
CID 152684
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
N-[[4-(2-thiophen-2-yl-1,3-thiazol-4-yl)phenyl]methyl]acetamide
CID 9344082
2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N'-hydroxyethanimidamide
CID 9583366
2-Cyclopentylidene-2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile
CID 713364
2-(4-Phenyl-1,3-thiazol-2-yl)ethanethioamide
CID 724012
(E)-4-phenyl-2-((E)-(thiophen-2-ylmethylene)hydrazono)-2,3-dihydrothiazole
CID 9556718

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide?
The IUPAC name of 5-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide (CID 10335742) is 5-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide.
What is the SMILES notation for 5-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide?
The canonical SMILES for 5-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide is [H]/N=C(\N)c1cc(-c2nc(-c3ccccc3)cs2)c(CC)s1.
What is the InChIKey of 5-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide?
The InChIKey is BWSMAMUETYWTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S2/c1-2-13-11(8-14(21-13)15(17)18)16-19-12(9-20-16)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H3,17,18).
What are the key properties of 5-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide?
5-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide has a molecular weight of 313.45 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide is sourced from PubChem (CID 10335742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).