(2S,5R)-5-ethyl-2,4-diphenyl-2-propyl-5H-1,3-thiazole

C20H23NS — CID 23252894

IUPAC(2S,5R)-5-ethyl-2,4-diphenyl-2-propyl-5H-1,3-thiazole
SMILESCCC[C@]1(c2ccccc2)N=C(c2ccccc2)[C@@H](CC)S1
InChIInChI=1S/C20H23NS/c1-3-15-20(17-13-9-6-10-14-17)21-19(18(4-2)22-20)16-11-7-5-8-12-16/h5-14,18H,3-4,15H2,1-2H3/t18-,20+/m1/s1
InChIKeyYIXLHMHAKDPEMT-QUCCMNQESA-N
MW309.48 g/mol
LogP5.65
Rot. Bonds5

About (2S,5R)-5-ethyl-2,4-diphenyl-2-propyl-5H-1,3-thiazole

(2S,5R)-5-ethyl-2,4-diphenyl-2-propyl-5H-1,3-thiazole (PubChem CID 23252894) has the molecular formula C20H23NS and a molecular weight of 309.48 g/mol. Its IUPAC name is (2S,5R)-5-ethyl-2,4-diphenyl-2-propyl-5H-1,3-thiazole.

Molecular Properties

Compound Name(2S,5R)-5-ethyl-2,4-diphenyl-2-propyl-5H-1,3-thiazole
PubChem CID23252894
Molecular FormulaC20H23NS
Molecular Weight309.48 g/mol
Exact Mass309.16
IUPAC Name(2S,5R)-5-ethyl-2,4-diphenyl-2-propyl-5H-1,3-thiazole
SMILESCCC[C@]1(c2ccccc2)N=C(c2ccccc2)[C@@H](CC)S1
InChIInChI=1S/C20H23NS/c1-3-15-20(17-13-9-6-10-14-17)21-19(18(4-2)22-20)16-11-7-5-8-12-16/h5-14,18H,3-4,15H2,1-2H3/t18-,20+/m1/s1
InChIKeyYIXLHMHAKDPEMT-QUCCMNQESA-N
XLogP5.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.48
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6S)-6-ethyl-5-phenyl-6H-1,3,4-thiadiazin-2-amine
CID 163136871
2-methyl-5-phenyl-2-propyl-3H-1,3,4-thiadiazole
CID 4084826
2-(azepan-1-yl)-6-ethyl-5-phenyl-6H-1,3,4-thiadiazine
CID 2865629
azane;1,1'-biphenyl;butane
CID 155168826
1-phenyl-2,2-dipropylcyclopropane-1-carbaldehyde
CID 87732171
6-methyl-3-phenyl-6-propylcyclohexa-2,4-dien-1-one
CID 11470178
2-ethyl-2-propyl-3,1-benzoxathiin-4-one
CID 176765986
2-methyl-2-propylbenzimidazole
CID 89315890
2-methyl-2,3-diphenylazirine
CID 13307627
1-(5-amino-2-phenyl-2-propyl-1,3,4-thiadiazol-3-yl)ethanone
CID 91213777
(4R,6S)-4-methyl-6-pentyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol
CID 11747856
(3aR,7aS)-2-phenyl-3a-propyl-5,6,7,7a-tetrahydro-4H-1,3-benzoxazole
CID 139265682

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-ethyl-2,4-diphenyl-2-propyl-5H-1,3-thiazole?
The IUPAC name of (2S,5R)-5-ethyl-2,4-diphenyl-2-propyl-5H-1,3-thiazole (CID 23252894) is (2S,5R)-5-ethyl-2,4-diphenyl-2-propyl-5H-1,3-thiazole.
What is the SMILES notation for (2S,5R)-5-ethyl-2,4-diphenyl-2-propyl-5H-1,3-thiazole?
The canonical SMILES for (2S,5R)-5-ethyl-2,4-diphenyl-2-propyl-5H-1,3-thiazole is CCC[C@]1(c2ccccc2)N=C(c2ccccc2)[C@@H](CC)S1.
What is the InChIKey of (2S,5R)-5-ethyl-2,4-diphenyl-2-propyl-5H-1,3-thiazole?
The InChIKey is YIXLHMHAKDPEMT-QUCCMNQESA-N. The full InChI is InChI=1S/C20H23NS/c1-3-15-20(17-13-9-6-10-14-17)21-19(18(4-2)22-20)16-11-7-5-8-12-16/h5-14,18H,3-4,15H2,1-2H3/t18-,20+/m1/s1.
What are the key properties of (2S,5R)-5-ethyl-2,4-diphenyl-2-propyl-5H-1,3-thiazole?
(2S,5R)-5-ethyl-2,4-diphenyl-2-propyl-5H-1,3-thiazole has a molecular weight of 309.48 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-ethyl-2,4-diphenyl-2-propyl-5H-1,3-thiazole is sourced from PubChem (CID 23252894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).