N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,3-difluoro-4-methylbenzamide

C20H24F2N2OS — CID 59866098

IUPACN-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,3-difluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)/N=c2\sc(C(C)(C)C)c(C)n2CC2CC2)c(F)c1F
InChIInChI=1S/C20H24F2N2OS/c1-11-6-9-14(16(22)15(11)21)18(25)23-19-24(10-13-7-8-13)12(2)17(26-19)20(3,4)5/h6,9,13H,7-8,10H2,1-5H3/b23-19-
InChIKeyRTRVLAAQGYDMFQ-NMWGTECJSA-N
MW378.49 g/mol
LogP4.89
Rot. Bonds3

About N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,3-difluoro-4-methylbenzamide

N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,3-difluoro-4-methylbenzamide (PubChem CID 59866098) has the molecular formula C20H24F2N2OS and a molecular weight of 378.49 g/mol. Its IUPAC name is N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,3-difluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,3-difluoro-4-methylbenzamide
PubChem CID59866098
Molecular FormulaC20H24F2N2OS
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC NameN-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,3-difluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)/N=c2\sc(C(C)(C)C)c(C)n2CC2CC2)c(F)c1F
InChIInChI=1S/C20H24F2N2OS/c1-11-6-9-14(16(22)15(11)21)18(25)23-19-24(10-13-7-8-13)12(2)17(26-19)20(3,4)5/h6,9,13H,7-8,10H2,1-5H3/b23-19-
InChIKeyRTRVLAAQGYDMFQ-NMWGTECJSA-N
XLogP4.89
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,3-difluoro-4-methylbenzamide?
The IUPAC name of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,3-difluoro-4-methylbenzamide (CID 59866098) is N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,3-difluoro-4-methylbenzamide.
What is the SMILES notation for N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,3-difluoro-4-methylbenzamide?
The canonical SMILES for N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,3-difluoro-4-methylbenzamide is Cc1ccc(C(=O)/N=c2\sc(C(C)(C)C)c(C)n2CC2CC2)c(F)c1F.
What is the InChIKey of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,3-difluoro-4-methylbenzamide?
The InChIKey is RTRVLAAQGYDMFQ-NMWGTECJSA-N. The full InChI is InChI=1S/C20H24F2N2OS/c1-11-6-9-14(16(22)15(11)21)18(25)23-19-24(10-13-7-8-13)12(2)17(26-19)20(3,4)5/h6,9,13H,7-8,10H2,1-5H3/b23-19-.
What are the key properties of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,3-difluoro-4-methylbenzamide?
N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,3-difluoro-4-methylbenzamide has a molecular weight of 378.49 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,3-difluoro-4-methylbenzamide is sourced from PubChem (CID 59866098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).