(4S)-N-(4-fluoro-2-methylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

C14H19FN2S — CID 57320511

IUPAC(4S)-N-(4-fluoro-2-methylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cc(F)ccc1NC1=N[C@@H](CC(C)C)CS1
InChIInChI=1S/C14H19FN2S/c1-9(2)6-12-8-18-14(16-12)17-13-5-4-11(15)7-10(13)3/h4-5,7,9,12H,6,8H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKeyDRQLPQDVSHXPHG-LBPRGKRZSA-N
MW266.38 g/mol
LogP4.06
Rot. Bonds3

About (4S)-N-(4-fluoro-2-methylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

(4S)-N-(4-fluoro-2-methylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 57320511) has the molecular formula C14H19FN2S and a molecular weight of 266.38 g/mol. Its IUPAC name is (4S)-N-(4-fluoro-2-methylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name(4S)-N-(4-fluoro-2-methylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID57320511
Molecular FormulaC14H19FN2S
Molecular Weight266.38 g/mol
Exact Mass266.13
IUPAC Name(4S)-N-(4-fluoro-2-methylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cc(F)ccc1NC1=N[C@@H](CC(C)C)CS1
InChIInChI=1S/C14H19FN2S/c1-9(2)6-12-8-18-14(16-12)17-13-5-4-11(15)7-10(13)3/h4-5,7,9,12H,6,8H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKeyDRQLPQDVSHXPHG-LBPRGKRZSA-N
XLogP4.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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 (4S)-N-(4-fluoro-2-methylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of (4S)-N-(4-fluoro-2-methylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 57320511) is (4S)-N-(4-fluoro-2-methylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for (4S)-N-(4-fluoro-2-methylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for (4S)-N-(4-fluoro-2-methylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is Cc1cc(F)ccc1NC1=N[C@@H](CC(C)C)CS1.
What is the InChIKey of (4S)-N-(4-fluoro-2-methylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is DRQLPQDVSHXPHG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19FN2S/c1-9(2)6-12-8-18-14(16-12)17-13-5-4-11(15)7-10(13)3/h4-5,7,9,12H,6,8H2,1-3H3,(H,16,17)/t12-/m0/s1.
What are the key properties of (4S)-N-(4-fluoro-2-methylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
(4S)-N-(4-fluoro-2-methylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 266.38 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(4-fluoro-2-methylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 57320511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).