N-(3-fluoro-4-pentoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide

C23H24FN3O2S — CID 24896458

IUPACN-(3-fluoro-4-pentoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide
SMILESCCCCCOc1ccc(N(C(=O)C2CC2)c2nc(-c3cccnc3)cs2)cc1F
InChIInChI=1S/C23H24FN3O2S/c1-2-3-4-12-29-21-10-9-18(13-19(21)24)27(22(28)16-7-8-16)23-26-20(15-30-23)17-6-5-11-25-14-17/h5-6,9-11,13-16H,2-4,7-8,12H2,1H3
InChIKeyOLVUVCRIXOMXFR-UHFFFAOYSA-N
MW425.53 g/mol
LogP5.99
Rot. Bonds9

About N-(3-fluoro-4-pentoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide

N-(3-fluoro-4-pentoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide (PubChem CID 24896458) has the molecular formula C23H24FN3O2S and a molecular weight of 425.53 g/mol. Its IUPAC name is N-(3-fluoro-4-pentoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pentoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide
PubChem CID24896458
Molecular FormulaC23H24FN3O2S
Molecular Weight425.53 g/mol
Exact Mass425.16
IUPAC NameN-(3-fluoro-4-pentoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide
SMILESCCCCCOc1ccc(N(C(=O)C2CC2)c2nc(-c3cccnc3)cs2)cc1F
InChIInChI=1S/C23H24FN3O2S/c1-2-3-4-12-29-21-10-9-18(13-19(21)24)27(22(28)16-7-8-16)23-26-20(15-30-23)17-6-5-11-25-14-17/h5-6,9-11,13-16H,2-4,7-8,12H2,1H3
InChIKeyOLVUVCRIXOMXFR-UHFFFAOYSA-N
XLogP5.99
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pentoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide?
The IUPAC name of N-(3-fluoro-4-pentoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide (CID 24896458) is N-(3-fluoro-4-pentoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(3-fluoro-4-pentoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(3-fluoro-4-pentoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide is CCCCCOc1ccc(N(C(=O)C2CC2)c2nc(-c3cccnc3)cs2)cc1F.
What is the InChIKey of N-(3-fluoro-4-pentoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide?
The InChIKey is OLVUVCRIXOMXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2S/c1-2-3-4-12-29-21-10-9-18(13-19(21)24)27(22(28)16-7-8-16)23-26-20(15-30-23)17-6-5-11-25-14-17/h5-6,9-11,13-16H,2-4,7-8,12H2,1H3.
What are the key properties of N-(3-fluoro-4-pentoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide?
N-(3-fluoro-4-pentoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide has a molecular weight of 425.53 g/mol, XLogP of 5.99, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pentoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide is sourced from PubChem (CID 24896458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).