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

C15H13N3S2 — CID 10424840

IUPAC5-methyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2nc(-c3ccccc3)cs2)c(C)s1
InChIInChI=1S/C15H13N3S2/c1-9-11(7-13(20-9)14(16)17)15-18-12(8-19-15)10-5-3-2-4-6-10/h2-8H,1H3,(H3,16,17)
InChIKeyXLCRTBWSBCRRAX-UHFFFAOYSA-N
MW299.42 g/mol
LogP4.13
Rot. Bonds3

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

5-methyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide (PubChem CID 10424840) has the molecular formula C15H13N3S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is 5-methyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide.

Molecular Properties

Compound Name5-methyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide
PubChem CID10424840
Molecular FormulaC15H13N3S2
Molecular Weight299.42 g/mol
Exact Mass299.06
IUPAC Name5-methyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2nc(-c3ccccc3)cs2)c(C)s1
InChIInChI=1S/C15H13N3S2/c1-9-11(7-13(20-9)14(16)17)15-18-12(8-19-15)10-5-3-2-4-6-10/h2-8H,1H3,(H3,16,17)
InChIKeyXLCRTBWSBCRRAX-UHFFFAOYSA-N
XLogP4.13
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 54.13
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-Amino-4-phenylthiazole
CID 40302
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-(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-Cyclopentylidene-2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile
CID 713364
2-(4-Phenyl-1,3-thiazol-2-yl)ethanethioamide
CID 724012

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide?
The IUPAC name of 5-methyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide (CID 10424840) is 5-methyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide.
What is the SMILES notation for 5-methyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide?
The canonical SMILES for 5-methyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide is [H]/N=C(\N)c1cc(-c2nc(-c3ccccc3)cs2)c(C)s1.
What is the InChIKey of 5-methyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide?
The InChIKey is XLCRTBWSBCRRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S2/c1-9-11(7-13(20-9)14(16)17)15-18-12(8-19-15)10-5-3-2-4-6-10/h2-8H,1H3,(H3,16,17).
What are the key properties of 5-methyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide?
5-methyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide has a molecular weight of 299.42 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboximidamide is sourced from PubChem (CID 10424840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).