2-[2-(cyclopropylsulfanylamino)-1,3-thiazol-4-yl]-N-(2-fluoro-4-pyridin-3-ylphenyl)acetamide

C19H17FN4OS2 — CID 138701156

IUPAC2-[2-(cyclopropylsulfanylamino)-1,3-thiazol-4-yl]-N-(2-fluoro-4-pyridin-3-ylphenyl)acetamide
SMILESO=C(Cc1csc(NSC2CC2)n1)Nc1ccc(-c2cccnc2)cc1F
InChIInChI=1S/C19H17FN4OS2/c20-16-8-12(13-2-1-7-21-10-13)3-6-17(16)23-18(25)9-14-11-26-19(22-14)24-27-15-4-5-15/h1-3,6-8,10-11,15H,4-5,9H2,(H,22,24)(H,23,25)
InChIKeyAAKRHEQFXFZUJR-UHFFFAOYSA-N
MW400.50 g/mol
LogP4.75
Rot. Bonds7

About 2-[2-(cyclopropylsulfanylamino)-1,3-thiazol-4-yl]-N-(2-fluoro-4-pyridin-3-ylphenyl)acetamide

2-[2-(cyclopropylsulfanylamino)-1,3-thiazol-4-yl]-N-(2-fluoro-4-pyridin-3-ylphenyl)acetamide (PubChem CID 138701156) has the molecular formula C19H17FN4OS2 and a molecular weight of 400.50 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfanylamino)-1,3-thiazol-4-yl]-N-(2-fluoro-4-pyridin-3-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfanylamino)-1,3-thiazol-4-yl]-N-(2-fluoro-4-pyridin-3-ylphenyl)acetamide
PubChem CID138701156
Molecular FormulaC19H17FN4OS2
Molecular Weight400.50 g/mol
Exact Mass400.08
IUPAC Name2-[2-(cyclopropylsulfanylamino)-1,3-thiazol-4-yl]-N-(2-fluoro-4-pyridin-3-ylphenyl)acetamide
SMILESO=C(Cc1csc(NSC2CC2)n1)Nc1ccc(-c2cccnc2)cc1F
InChIInChI=1S/C19H17FN4OS2/c20-16-8-12(13-2-1-7-21-10-13)3-6-17(16)23-18(25)9-14-11-26-19(22-14)24-27-15-4-5-15/h1-3,6-8,10-11,15H,4-5,9H2,(H,22,24)(H,23,25)
InChIKeyAAKRHEQFXFZUJR-UHFFFAOYSA-N
XLogP4.75
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(cyclopropylsulfanylamino)pyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)acetamide
CID 139515478
N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51206176
N-naphthalen-1-yl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204706
tert-butyl N-[4-fluoro-2-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]carbamate
CID 56571820
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55460596
N-(2,5-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9191562
N-(4-bromo-2-methylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51205873
N-(2-iodophenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55386459
N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 18568275
2-[2-[(2-pyridin-3-ylacetyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 62688977
N-(4-chloro-2-fluorophenyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8777429
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55912707

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfanylamino)-1,3-thiazol-4-yl]-N-(2-fluoro-4-pyridin-3-ylphenyl)acetamide?
The IUPAC name of 2-[2-(cyclopropylsulfanylamino)-1,3-thiazol-4-yl]-N-(2-fluoro-4-pyridin-3-ylphenyl)acetamide (CID 138701156) is 2-[2-(cyclopropylsulfanylamino)-1,3-thiazol-4-yl]-N-(2-fluoro-4-pyridin-3-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfanylamino)-1,3-thiazol-4-yl]-N-(2-fluoro-4-pyridin-3-ylphenyl)acetamide?
The canonical SMILES for 2-[2-(cyclopropylsulfanylamino)-1,3-thiazol-4-yl]-N-(2-fluoro-4-pyridin-3-ylphenyl)acetamide is O=C(Cc1csc(NSC2CC2)n1)Nc1ccc(-c2cccnc2)cc1F.
What is the InChIKey of 2-[2-(cyclopropylsulfanylamino)-1,3-thiazol-4-yl]-N-(2-fluoro-4-pyridin-3-ylphenyl)acetamide?
The InChIKey is AAKRHEQFXFZUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4OS2/c20-16-8-12(13-2-1-7-21-10-13)3-6-17(16)23-18(25)9-14-11-26-19(22-14)24-27-15-4-5-15/h1-3,6-8,10-11,15H,4-5,9H2,(H,22,24)(H,23,25).
What are the key properties of 2-[2-(cyclopropylsulfanylamino)-1,3-thiazol-4-yl]-N-(2-fluoro-4-pyridin-3-ylphenyl)acetamide?
2-[2-(cyclopropylsulfanylamino)-1,3-thiazol-4-yl]-N-(2-fluoro-4-pyridin-3-ylphenyl)acetamide has a molecular weight of 400.50 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylsulfanylamino)-1,3-thiazol-4-yl]-N-(2-fluoro-4-pyridin-3-ylphenyl)acetamide is sourced from PubChem (CID 138701156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).