4-(difluoromethyl)-N-[(1S,2S)-2-(2,4-difluorophenyl)cyclobutyl]-1,3-thiazole-5-carboxamide

C15H12F4N2OS — CID 135150657

IUPAC4-(difluoromethyl)-N-[(1S,2S)-2-(2,4-difluorophenyl)cyclobutyl]-1,3-thiazole-5-carboxamide
SMILESO=C(N[C@H]1CC[C@H]1c1ccc(F)cc1F)c1scnc1C(F)F
InChIInChI=1S/C15H12F4N2OS/c16-7-1-2-8(10(17)5-7)9-3-4-11(9)21-15(22)13-12(14(18)19)20-6-23-13/h1-2,5-6,9,11,14H,3-4H2,(H,21,22)/t9-,11-/m0/s1
InChIKeyDOHVUWPDBQZJFV-ONGXEEELSA-N
MW344.33 g/mol
LogP4.03
Rot. Bonds4

About 4-(difluoromethyl)-N-[(1S,2S)-2-(2,4-difluorophenyl)cyclobutyl]-1,3-thiazole-5-carboxamide

4-(difluoromethyl)-N-[(1S,2S)-2-(2,4-difluorophenyl)cyclobutyl]-1,3-thiazole-5-carboxamide (PubChem CID 135150657) has the molecular formula C15H12F4N2OS and a molecular weight of 344.33 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-[(1S,2S)-2-(2,4-difluorophenyl)cyclobutyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-(difluoromethyl)-N-[(1S,2S)-2-(2,4-difluorophenyl)cyclobutyl]-1,3-thiazole-5-carboxamide
PubChem CID135150657
Molecular FormulaC15H12F4N2OS
Molecular Weight344.33 g/mol
Exact Mass344.06
IUPAC Name4-(difluoromethyl)-N-[(1S,2S)-2-(2,4-difluorophenyl)cyclobutyl]-1,3-thiazole-5-carboxamide
SMILESO=C(N[C@H]1CC[C@H]1c1ccc(F)cc1F)c1scnc1C(F)F
InChIInChI=1S/C15H12F4N2OS/c16-7-1-2-8(10(17)5-7)9-3-4-11(9)21-15(22)13-12(14(18)19)20-6-23-13/h1-2,5-6,9,11,14H,3-4H2,(H,21,22)/t9-,11-/m0/s1
InChIKeyDOHVUWPDBQZJFV-ONGXEEELSA-N
XLogP4.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N-[(1S,2S)-2-(2,4-difluorophenyl)cyclobutyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-(difluoromethyl)-N-[(1S,2S)-2-(2,4-difluorophenyl)cyclobutyl]-1,3-thiazole-5-carboxamide (CID 135150657) is 4-(difluoromethyl)-N-[(1S,2S)-2-(2,4-difluorophenyl)cyclobutyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-(difluoromethyl)-N-[(1S,2S)-2-(2,4-difluorophenyl)cyclobutyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-(difluoromethyl)-N-[(1S,2S)-2-(2,4-difluorophenyl)cyclobutyl]-1,3-thiazole-5-carboxamide is O=C(N[C@H]1CC[C@H]1c1ccc(F)cc1F)c1scnc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-N-[(1S,2S)-2-(2,4-difluorophenyl)cyclobutyl]-1,3-thiazole-5-carboxamide?
The InChIKey is DOHVUWPDBQZJFV-ONGXEEELSA-N. The full InChI is InChI=1S/C15H12F4N2OS/c16-7-1-2-8(10(17)5-7)9-3-4-11(9)21-15(22)13-12(14(18)19)20-6-23-13/h1-2,5-6,9,11,14H,3-4H2,(H,21,22)/t9-,11-/m0/s1.
What are the key properties of 4-(difluoromethyl)-N-[(1S,2S)-2-(2,4-difluorophenyl)cyclobutyl]-1,3-thiazole-5-carboxamide?
4-(difluoromethyl)-N-[(1S,2S)-2-(2,4-difluorophenyl)cyclobutyl]-1,3-thiazole-5-carboxamide has a molecular weight of 344.33 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N-[(1S,2S)-2-(2,4-difluorophenyl)cyclobutyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 135150657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).