(2S,5S)-4,5-dimethyl-2-propan-2-yl-2,5-dihydro-1,3-thiazole

C8H15NS — CID 86312344

IUPAC(2S,5S)-4,5-dimethyl-2-propan-2-yl-2,5-dihydro-1,3-thiazole
SMILESCC1=N[C@H](C(C)C)S[C@H]1C
InChIInChI=1S/C8H15NS/c1-5(2)8-9-6(3)7(4)10-8/h5,7-8H,1-4H3/t7-,8-/m0/s1
InChIKeyFVCWUBASYJVIEJ-YUMQZZPRSA-N
MW157.28 g/mol
LogP2.56
Rot. Bonds1

About (2S,5S)-4,5-dimethyl-2-propan-2-yl-2,5-dihydro-1,3-thiazole

(2S,5S)-4,5-dimethyl-2-propan-2-yl-2,5-dihydro-1,3-thiazole (PubChem CID 86312344) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is (2S,5S)-4,5-dimethyl-2-propan-2-yl-2,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(2S,5S)-4,5-dimethyl-2-propan-2-yl-2,5-dihydro-1,3-thiazole
PubChem CID86312344
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name(2S,5S)-4,5-dimethyl-2-propan-2-yl-2,5-dihydro-1,3-thiazole
SMILESCC1=N[C@H](C(C)C)S[C@H]1C
InChIInChI=1S/C8H15NS/c1-5(2)8-9-6(3)7(4)10-8/h5,7-8H,1-4H3/t7-,8-/m0/s1
InChIKeyFVCWUBASYJVIEJ-YUMQZZPRSA-N
XLogP2.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-4,5-dimethyl-2-propan-2-yl-2,5-dihydro-1,3-thiazole?
The IUPAC name of (2S,5S)-4,5-dimethyl-2-propan-2-yl-2,5-dihydro-1,3-thiazole (CID 86312344) is (2S,5S)-4,5-dimethyl-2-propan-2-yl-2,5-dihydro-1,3-thiazole.
What is the SMILES notation for (2S,5S)-4,5-dimethyl-2-propan-2-yl-2,5-dihydro-1,3-thiazole?
The canonical SMILES for (2S,5S)-4,5-dimethyl-2-propan-2-yl-2,5-dihydro-1,3-thiazole is CC1=N[C@H](C(C)C)S[C@H]1C.
What is the InChIKey of (2S,5S)-4,5-dimethyl-2-propan-2-yl-2,5-dihydro-1,3-thiazole?
The InChIKey is FVCWUBASYJVIEJ-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H15NS/c1-5(2)8-9-6(3)7(4)10-8/h5,7-8H,1-4H3/t7-,8-/m0/s1.
What are the key properties of (2S,5S)-4,5-dimethyl-2-propan-2-yl-2,5-dihydro-1,3-thiazole?
(2S,5S)-4,5-dimethyl-2-propan-2-yl-2,5-dihydro-1,3-thiazole has a molecular weight of 157.28 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-4,5-dimethyl-2-propan-2-yl-2,5-dihydro-1,3-thiazole is sourced from PubChem (CID 86312344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).