3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluorobenzamide

C13H12FN3OS — CID 61479305

IUPAC3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluorobenzamide
SMILESNc1cc(C(=O)Nc2nc(C3CC3)cs2)ccc1F
InChIInChI=1S/C13H12FN3OS/c14-9-4-3-8(5-10(9)15)12(18)17-13-16-11(6-19-13)7-1-2-7/h3-7H,1-2,15H2,(H,16,17,18)
InChIKeyDLZFIZSPZDSHGL-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.99
Rot. Bonds3

About 3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluorobenzamide

3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluorobenzamide (PubChem CID 61479305) has the molecular formula C13H12FN3OS and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluorobenzamide
PubChem CID61479305
Molecular FormulaC13H12FN3OS
Molecular Weight277.32 g/mol
Exact Mass277.07
IUPAC Name3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluorobenzamide
SMILESNc1cc(C(=O)Nc2nc(C3CC3)cs2)ccc1F
InChIInChI=1S/C13H12FN3OS/c14-9-4-3-8(5-10(9)15)12(18)17-13-16-11(6-19-13)7-1-2-7/h3-7H,1-2,15H2,(H,16,17,18)
InChIKeyDLZFIZSPZDSHGL-UHFFFAOYSA-N
XLogP2.99
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluorobenzamide?
The IUPAC name of 3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluorobenzamide (CID 61479305) is 3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluorobenzamide.
What is the SMILES notation for 3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluorobenzamide?
The canonical SMILES for 3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluorobenzamide is Nc1cc(C(=O)Nc2nc(C3CC3)cs2)ccc1F.
What is the InChIKey of 3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluorobenzamide?
The InChIKey is DLZFIZSPZDSHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3OS/c14-9-4-3-8(5-10(9)15)12(18)17-13-16-11(6-19-13)7-1-2-7/h3-7H,1-2,15H2,(H,16,17,18).
What are the key properties of 3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluorobenzamide?
3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluorobenzamide has a molecular weight of 277.32 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluorobenzamide is sourced from PubChem (CID 61479305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).