N-(4-fluoro-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine

C14H19FN2S — CID 106351301

IUPACN-(4-fluoro-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1cc(F)ccc1NC1=NC(C(C)C)CCS1
InChIInChI=1S/C14H19FN2S/c1-9(2)12-6-7-18-14(16-12)17-13-5-4-11(15)8-10(13)3/h4-5,8-9,12H,6-7H2,1-3H3,(H,16,17)
InChIKeyYFPWLXGPCRGCMW-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.06
Rot. Bonds2

About N-(4-fluoro-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine

N-(4-fluoro-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106351301) has the molecular formula C14H19FN2S and a molecular weight of 266.38 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106351301
Molecular FormulaC14H19FN2S
Molecular Weight266.38 g/mol
Exact Mass266.13
IUPAC NameN-(4-fluoro-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1cc(F)ccc1NC1=NC(C(C)C)CCS1
InChIInChI=1S/C14H19FN2S/c1-9(2)12-6-7-18-14(16-12)17-13-5-4-11(15)8-10(13)3/h4-5,8-9,12H,6-7H2,1-3H3,(H,16,17)
InChIKeyYFPWLXGPCRGCMW-UHFFFAOYSA-N
XLogP4.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106351301) is N-(4-fluoro-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine is Cc1cc(F)ccc1NC1=NC(C(C)C)CCS1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is YFPWLXGPCRGCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2S/c1-9(2)12-6-7-18-14(16-12)17-13-5-4-11(15)8-10(13)3/h4-5,8-9,12H,6-7H2,1-3H3,(H,16,17).
What are the key properties of N-(4-fluoro-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(4-fluoro-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 266.38 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106351301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).