(4S)-4-benzyl-2-methyl-4,5-dihydro-1,3-thiazole

C11H13NS — CID 10750247

IUPAC(4S)-4-benzyl-2-methyl-4,5-dihydro-1,3-thiazole
SMILESCC1=N[C@@H](Cc2ccccc2)CS1
InChIInChI=1S/C11H13NS/c1-9-12-11(8-13-9)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m0/s1
InChIKeyLIAYJYKOSOBXQB-NSHDSACASA-N
MW191.30 g/mol
LogP2.76
Rot. Bonds2

About (4S)-4-benzyl-2-methyl-4,5-dihydro-1,3-thiazole

(4S)-4-benzyl-2-methyl-4,5-dihydro-1,3-thiazole (PubChem CID 10750247) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is (4S)-4-benzyl-2-methyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(4S)-4-benzyl-2-methyl-4,5-dihydro-1,3-thiazole
PubChem CID10750247
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name(4S)-4-benzyl-2-methyl-4,5-dihydro-1,3-thiazole
SMILESCC1=N[C@@H](Cc2ccccc2)CS1
InChIInChI=1S/C11H13NS/c1-9-12-11(8-13-9)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m0/s1
InChIKeyLIAYJYKOSOBXQB-NSHDSACASA-N
XLogP2.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Thiazole, 4,5-dihydro-2-phenyl-
CID 200788
2-Benzylthio-2-thiazoline
CID 275677
5-Methyl-2-phenyl-4,5-dihydro-1,3-thiazole
CID 211414
Thiazole, 4,5-dihydro-2-(4-methylphenyl)-
CID 202678
Amphetamine isothiocyanate
CID 85976
Thiazole, 4,5-dihydro-4,4-dimethyl-2-(phenylmethyl)-
CID 3040932
2-Methyl-4,5-diphenyl-4,5-dihydro-1,3-thiazole
CID 4652461
4H-1,3-Thiazine, 5,6-dihydro-4,4-dimethyl-2-(2-phenylethenyl)-
CID 6078562
4-Isothiocyanatobutylsulfanylmethylbenzene
CID 71699223
2-Phenyl-3a,4,5,6,7,7a-hexahydro-benzothiazole
CID 263630
3-Thiazoline, 2-ethyl-4-phenyl-
CID 3050568
Benzothiazole, 3a,4,5,6,7,7a-hexahydro-2-phenyl-, cis-
CID 3059924

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-2-methyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of (4S)-4-benzyl-2-methyl-4,5-dihydro-1,3-thiazole (CID 10750247) is (4S)-4-benzyl-2-methyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (4S)-4-benzyl-2-methyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (4S)-4-benzyl-2-methyl-4,5-dihydro-1,3-thiazole is CC1=N[C@@H](Cc2ccccc2)CS1.
What is the InChIKey of (4S)-4-benzyl-2-methyl-4,5-dihydro-1,3-thiazole?
The InChIKey is LIAYJYKOSOBXQB-NSHDSACASA-N. The full InChI is InChI=1S/C11H13NS/c1-9-12-11(8-13-9)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m0/s1.
What are the key properties of (4S)-4-benzyl-2-methyl-4,5-dihydro-1,3-thiazole?
(4S)-4-benzyl-2-methyl-4,5-dihydro-1,3-thiazole has a molecular weight of 191.30 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-2-methyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 10750247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).