4-fluoro-N-propan-2-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

C18H16FN3OS — CID 45486758

IUPAC4-fluoro-N-propan-2-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccc(F)cc1)c1nc(-c2ccccn2)cs1
InChIInChI=1S/C18H16FN3OS/c1-12(2)22(17(23)13-6-8-14(19)9-7-13)18-21-16(11-24-18)15-5-3-4-10-20-15/h3-12H,1-2H3
InChIKeyMZMCZACACVQCBM-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.40
Rot. Bonds4

About 4-fluoro-N-propan-2-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

4-fluoro-N-propan-2-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 45486758) has the molecular formula C18H16FN3OS and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-fluoro-N-propan-2-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-propan-2-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID45486758
Molecular FormulaC18H16FN3OS
Molecular Weight341.41 g/mol
Exact Mass341.10
IUPAC Name4-fluoro-N-propan-2-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccc(F)cc1)c1nc(-c2ccccn2)cs1
InChIInChI=1S/C18H16FN3OS/c1-12(2)22(17(23)13-6-8-14(19)9-7-13)18-21-16(11-24-18)15-5-3-4-10-20-15/h3-12H,1-2H3
InChIKeyMZMCZACACVQCBM-UHFFFAOYSA-N
XLogP4.40
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-propan-2-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-fluoro-N-propan-2-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 45486758) is 4-fluoro-N-propan-2-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-propan-2-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-fluoro-N-propan-2-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is CC(C)N(C(=O)c1ccc(F)cc1)c1nc(-c2ccccn2)cs1.
What is the InChIKey of 4-fluoro-N-propan-2-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is MZMCZACACVQCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3OS/c1-12(2)22(17(23)13-6-8-14(19)9-7-13)18-21-16(11-24-18)15-5-3-4-10-20-15/h3-12H,1-2H3.
What are the key properties of 4-fluoro-N-propan-2-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
4-fluoro-N-propan-2-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 341.41 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-propan-2-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 45486758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).