2-(4-chloro-3,5-difluoroanilino)-N-(3-ethoxypropyl)-1,3-thiazole-4-carboxamide

C15H16ClF2N3O2S — CID 155520417

IUPAC2-(4-chloro-3,5-difluoroanilino)-N-(3-ethoxypropyl)-1,3-thiazole-4-carboxamide
SMILESCCOCCCNC(=O)c1csc(Nc2cc(F)c(Cl)c(F)c2)n1
InChIInChI=1S/C15H16ClF2N3O2S/c1-2-23-5-3-4-19-14(22)12-8-24-15(21-12)20-9-6-10(17)13(16)11(18)7-9/h6-8H,2-5H2,1H3,(H,19,22)(H,20,21)
InChIKeyQIDNPQNVCRBUFP-UHFFFAOYSA-N
MW375.83 g/mol
LogP3.97
Rot. Bonds8

About 2-(4-chloro-3,5-difluoroanilino)-N-(3-ethoxypropyl)-1,3-thiazole-4-carboxamide

2-(4-chloro-3,5-difluoroanilino)-N-(3-ethoxypropyl)-1,3-thiazole-4-carboxamide (PubChem CID 155520417) has the molecular formula C15H16ClF2N3O2S and a molecular weight of 375.83 g/mol. Its IUPAC name is 2-(4-chloro-3,5-difluoroanilino)-N-(3-ethoxypropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-difluoroanilino)-N-(3-ethoxypropyl)-1,3-thiazole-4-carboxamide
PubChem CID155520417
Molecular FormulaC15H16ClF2N3O2S
Molecular Weight375.83 g/mol
Exact Mass375.06
IUPAC Name2-(4-chloro-3,5-difluoroanilino)-N-(3-ethoxypropyl)-1,3-thiazole-4-carboxamide
SMILESCCOCCCNC(=O)c1csc(Nc2cc(F)c(Cl)c(F)c2)n1
InChIInChI=1S/C15H16ClF2N3O2S/c1-2-23-5-3-4-19-14(22)12-8-24-15(21-12)20-9-6-10(17)13(16)11(18)7-9/h6-8H,2-5H2,1H3,(H,19,22)(H,20,21)
InChIKeyQIDNPQNVCRBUFP-UHFFFAOYSA-N
XLogP3.97
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.83
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-difluoroanilino)-N-(3-ethoxypropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-chloro-3,5-difluoroanilino)-N-(3-ethoxypropyl)-1,3-thiazole-4-carboxamide (CID 155520417) is 2-(4-chloro-3,5-difluoroanilino)-N-(3-ethoxypropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-chloro-3,5-difluoroanilino)-N-(3-ethoxypropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-chloro-3,5-difluoroanilino)-N-(3-ethoxypropyl)-1,3-thiazole-4-carboxamide is CCOCCCNC(=O)c1csc(Nc2cc(F)c(Cl)c(F)c2)n1.
What is the InChIKey of 2-(4-chloro-3,5-difluoroanilino)-N-(3-ethoxypropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is QIDNPQNVCRBUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF2N3O2S/c1-2-23-5-3-4-19-14(22)12-8-24-15(21-12)20-9-6-10(17)13(16)11(18)7-9/h6-8H,2-5H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-(4-chloro-3,5-difluoroanilino)-N-(3-ethoxypropyl)-1,3-thiazole-4-carboxamide?
2-(4-chloro-3,5-difluoroanilino)-N-(3-ethoxypropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 375.83 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-difluoroanilino)-N-(3-ethoxypropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155520417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).