4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide

C15H11F2N3S3 — CID 18537008

IUPAC4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2nc(-c3cc(F)ccc3F)cs2)c(SC)s1
InChIInChI=1S/C15H11F2N3S3/c1-21-15-9(5-12(23-15)13(18)19)14-20-11(6-22-14)8-4-7(16)2-3-10(8)17/h2-6H,1H3,(H3,18,19)
InChIKeyHSLKSVNMBZBWAU-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.82
Rot. Bonds4

About 4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide

4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide (PubChem CID 18537008) has the molecular formula C15H11F2N3S3 and a molecular weight of 367.47 g/mol. Its IUPAC name is 4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide.

Molecular Properties

Compound Name4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide
PubChem CID18537008
Molecular FormulaC15H11F2N3S3
Molecular Weight367.47 g/mol
Exact Mass367.01
IUPAC Name4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2nc(-c3cc(F)ccc3F)cs2)c(SC)s1
InChIInChI=1S/C15H11F2N3S3/c1-21-15-9(5-12(23-15)13(18)19)14-20-11(6-22-14)8-4-7(16)2-3-10(8)17/h2-6H,1H3,(H3,18,19)
InChIKeyHSLKSVNMBZBWAU-UHFFFAOYSA-N
XLogP4.82
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.82
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 4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide?
The IUPAC name of 4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide (CID 18537008) is 4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide.
What is the SMILES notation for 4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide?
The canonical SMILES for 4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide is [H]/N=C(\N)c1cc(-c2nc(-c3cc(F)ccc3F)cs2)c(SC)s1.
What is the InChIKey of 4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide?
The InChIKey is HSLKSVNMBZBWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3S3/c1-21-15-9(5-12(23-15)13(18)19)14-20-11(6-22-14)8-4-7(16)2-3-10(8)17/h2-6H,1H3,(H3,18,19).
What are the key properties of 4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide?
4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide has a molecular weight of 367.47 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboximidamide is sourced from PubChem (CID 18537008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).