2,3,4,5,6-pentafluoro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide

C19H13F5N2OS — CID 4060927

IUPAC2,3,4,5,6-pentafluoro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCC(C)c1ccc(-c2csc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)n2)cc1
InChIInChI=1S/C19H13F5N2OS/c1-8(2)9-3-5-10(6-4-9)11-7-28-19(25-11)26-18(27)12-13(20)15(22)17(24)16(23)14(12)21/h3-8H,1-2H3,(H,25,26,27)
InChIKeyPWTQUULHNOJZJU-UHFFFAOYSA-N
MW412.38 g/mol
LogP5.88
Rot. Bonds4

About 2,3,4,5,6-pentafluoro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide

2,3,4,5,6-pentafluoro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 4060927) has the molecular formula C19H13F5N2OS and a molecular weight of 412.38 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID4060927
Molecular FormulaC19H13F5N2OS
Molecular Weight412.38 g/mol
Exact Mass412.07
IUPAC Name2,3,4,5,6-pentafluoro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCC(C)c1ccc(-c2csc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)n2)cc1
InChIInChI=1S/C19H13F5N2OS/c1-8(2)9-3-5-10(6-4-9)11-7-28-19(25-11)26-18(27)12-13(20)15(22)17(24)16(23)14(12)21/h3-8H,1-2H3,(H,25,26,27)
InChIKeyPWTQUULHNOJZJU-UHFFFAOYSA-N
XLogP5.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.38
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-N,3-N-bis[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide
CID 3495731
N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 896408
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide
CID 4120073
2-methylsulfanyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 8610272
4-propan-2-yloxy-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4118646
2,4-dichloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 5057994
2-acetamido-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide
CID 75869192
N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]butanamide
CID 3681052
3-methylsulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 7565619
(E)-3-(4-fluorophenyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 6031986
3-(4-fluorophenyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4188807
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 43951183

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide (CID 4060927) is 2,3,4,5,6-pentafluoro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide is CC(C)c1ccc(-c2csc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)n2)cc1.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is PWTQUULHNOJZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F5N2OS/c1-8(2)9-3-5-10(6-4-9)11-7-28-19(25-11)26-18(27)12-13(20)15(22)17(24)16(23)14(12)21/h3-8H,1-2H3,(H,25,26,27).
What are the key properties of 2,3,4,5,6-pentafluoro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide?
2,3,4,5,6-pentafluoro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 412.38 g/mol, XLogP of 5.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 4060927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).