4-tert-butyl-N-(5-chloro-2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C14H18ClFN2S — CID 106351382

IUPAC4-tert-butyl-N-(5-chloro-2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)(C)C1CCSC(Nc2cc(Cl)ccc2F)=N1
InChIInChI=1S/C14H18ClFN2S/c1-14(2,3)12-6-7-19-13(18-12)17-11-8-9(15)4-5-10(11)16/h4-5,8,12H,6-7H2,1-3H3,(H,17,18)
InChIKeyLQVZVZZFLIEGHQ-UHFFFAOYSA-N
MW300.83 g/mol
LogP4.80
Rot. Bonds1

About 4-tert-butyl-N-(5-chloro-2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

4-tert-butyl-N-(5-chloro-2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106351382) has the molecular formula C14H18ClFN2S and a molecular weight of 300.83 g/mol. Its IUPAC name is 4-tert-butyl-N-(5-chloro-2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(5-chloro-2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106351382
Molecular FormulaC14H18ClFN2S
Molecular Weight300.83 g/mol
Exact Mass300.09
IUPAC Name4-tert-butyl-N-(5-chloro-2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)(C)C1CCSC(Nc2cc(Cl)ccc2F)=N1
InChIInChI=1S/C14H18ClFN2S/c1-14(2,3)12-6-7-19-13(18-12)17-11-8-9(15)4-5-10(11)16/h4-5,8,12H,6-7H2,1-3H3,(H,17,18)
InChIKeyLQVZVZZFLIEGHQ-UHFFFAOYSA-N
XLogP4.80
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-(2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114177130
4-tert-butyl-N-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351323
N-(4-bromo-3-fluorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351909
N-(2-bromo-3-chlorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106352291
4-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-3-chlorobenzonitrile
CID 106352353
4-tert-butyl-N-(3-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351264
4-tert-butyl-N-(2-fluoro-6-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106352248
4-tert-butyl-N-(2,5-dimethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351205
4-tert-butyl-N-(3-chloro-4-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351140
4-tert-butyl-N-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351110
4-tert-butyl-N-(2,6-dibromophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106352323
4-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile
CID 106351284

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(5-chloro-2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 4-tert-butyl-N-(5-chloro-2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106351382) is 4-tert-butyl-N-(5-chloro-2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 4-tert-butyl-N-(5-chloro-2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 4-tert-butyl-N-(5-chloro-2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is CC(C)(C)C1CCSC(Nc2cc(Cl)ccc2F)=N1.
What is the InChIKey of 4-tert-butyl-N-(5-chloro-2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is LQVZVZZFLIEGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2S/c1-14(2,3)12-6-7-19-13(18-12)17-11-8-9(15)4-5-10(11)16/h4-5,8,12H,6-7H2,1-3H3,(H,17,18).
What are the key properties of 4-tert-butyl-N-(5-chloro-2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
4-tert-butyl-N-(5-chloro-2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 300.83 g/mol, XLogP of 4.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(5-chloro-2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106351382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).