N-tert-butyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide

C15H17FN2OS2 — CID 2503365

IUPACN-tert-butyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
SMILESCC(C)(C)NC(=O)CSc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C15H17FN2OS2/c1-15(2,3)18-13(19)9-21-14-17-12(8-20-14)10-4-6-11(16)7-5-10/h4-8H,9H2,1-3H3,(H,18,19)
InChIKeyDYGLRIZMSKMDGS-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.96
Rot. Bonds4

About N-tert-butyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide

N-tert-butyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide (PubChem CID 2503365) has the molecular formula C15H17FN2OS2 and a molecular weight of 324.45 g/mol. Its IUPAC name is N-tert-butyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
PubChem CID2503365
Molecular FormulaC15H17FN2OS2
Molecular Weight324.45 g/mol
Exact Mass324.08
IUPAC NameN-tert-butyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
SMILESCC(C)(C)NC(=O)CSc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C15H17FN2OS2/c1-15(2,3)18-13(19)9-21-14-17-12(8-20-14)10-4-6-11(16)7-5-10/h4-8H,9H2,1-3H3,(H,18,19)
InChIKeyDYGLRIZMSKMDGS-UHFFFAOYSA-N
XLogP3.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 2591198
2-(4-p-Tolyl-thiazol-2-yl)-acetamide
CID 1079159
2-(Tert-butylsulfonylmethyl)-4-(3-fluorophenyl)-1,3-thiazole
CID 2742537
N-(3-fluoro-4-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532645
N-[(4-methylphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532745
2-{[(4-Phenyl-1,3-thiazol-2-yl)methyl]thio}ethanohydrazide
CID 2821259
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 4803987
N-[1-(4-fluorophenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 4881245
3,3-dimethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 7152314
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
CID 8534185
2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N'-hydroxyethanimidamide
CID 9583366
N-(2-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 16277301

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-tert-butyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide (CID 2503365) is N-tert-butyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-tert-butyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide is CC(C)(C)NC(=O)CSc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-tert-butyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
The InChIKey is DYGLRIZMSKMDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2OS2/c1-15(2,3)18-13(19)9-21-14-17-12(8-20-14)10-4-6-11(16)7-5-10/h4-8H,9H2,1-3H3,(H,18,19).
What are the key properties of N-tert-butyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
N-tert-butyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide has a molecular weight of 324.45 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 2503365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).