N-[[5-[2-(3,5-difluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]-2,2-dimethylpropanamide

C19H19F2N3O2S2 — CID 162757633

IUPACN-[[5-[2-(3,5-difluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]-2,2-dimethylpropanamide
SMILESCc1nc(CNC(=O)C(C)(C)C)sc1-c1csc(-c2cc(F)c(O)c(F)c2)n1
InChIInChI=1S/C19H19F2N3O2S2/c1-9-16(28-14(23-9)7-22-18(26)19(2,3)4)13-8-27-17(24-13)10-5-11(20)15(25)12(21)6-10/h5-6,8,25H,7H2,1-4H3,(H,22,26)
InChIKeyVJEVVPASNVQASO-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.89
Rot. Bonds4

About N-[[5-[2-(3,5-difluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]-2,2-dimethylpropanamide

N-[[5-[2-(3,5-difluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]-2,2-dimethylpropanamide (PubChem CID 162757633) has the molecular formula C19H19F2N3O2S2 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[[5-[2-(3,5-difluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[5-[2-(3,5-difluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]-2,2-dimethylpropanamide
PubChem CID162757633
Molecular FormulaC19H19F2N3O2S2
Molecular Weight423.51 g/mol
Exact Mass423.09
IUPAC NameN-[[5-[2-(3,5-difluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]-2,2-dimethylpropanamide
SMILESCc1nc(CNC(=O)C(C)(C)C)sc1-c1csc(-c2cc(F)c(O)c(F)c2)n1
InChIInChI=1S/C19H19F2N3O2S2/c1-9-16(28-14(23-9)7-22-18(26)19(2,3)4)13-8-27-17(24-13)10-5-11(20)15(25)12(21)6-10/h5-6,8,25H,7H2,1-4H3,(H,22,26)
InChIKeyVJEVVPASNVQASO-UHFFFAOYSA-N
XLogP4.89
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(3,5-difluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[5-[2-(3,5-difluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]-2,2-dimethylpropanamide (CID 162757633) is N-[[5-[2-(3,5-difluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[5-[2-(3,5-difluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[5-[2-(3,5-difluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]-2,2-dimethylpropanamide is Cc1nc(CNC(=O)C(C)(C)C)sc1-c1csc(-c2cc(F)c(O)c(F)c2)n1.
What is the InChIKey of N-[[5-[2-(3,5-difluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]-2,2-dimethylpropanamide?
The InChIKey is VJEVVPASNVQASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O2S2/c1-9-16(28-14(23-9)7-22-18(26)19(2,3)4)13-8-27-17(24-13)10-5-11(20)15(25)12(21)6-10/h5-6,8,25H,7H2,1-4H3,(H,22,26).
What are the key properties of N-[[5-[2-(3,5-difluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]-2,2-dimethylpropanamide?
N-[[5-[2-(3,5-difluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]-2,2-dimethylpropanamide has a molecular weight of 423.51 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(3,5-difluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 162757633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).