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

C8H15NS — CID 59954979

IUPAC(2S)-4,5-dimethyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole
SMILESCC1=C(C)S[C@@H](C(C)C)N1
InChIInChI=1S/C8H15NS/c1-5(2)8-9-6(3)7(4)10-8/h5,8-9H,1-4H3/t8-/m0/s1
InChIKeyLBNSMEOONYUWER-QMMMGPOBSA-N
MW157.28 g/mol
LogP2.56
Rot. Bonds1

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

(2S)-4,5-dimethyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole (PubChem CID 59954979) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is (2S)-4,5-dimethyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(2S)-4,5-dimethyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole
PubChem CID59954979
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name(2S)-4,5-dimethyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole
SMILESCC1=C(C)S[C@@H](C(C)C)N1
InChIInChI=1S/C8H15NS/c1-5(2)8-9-6(3)7(4)10-8/h5,8-9H,1-4H3/t8-/m0/s1
InChIKeyLBNSMEOONYUWER-QMMMGPOBSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-Dimethyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole
CID 23384098
4-Methyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole
CID 53770458
2,4-Dimethyl-5-propan-2-yl-2,3-dihydro-1,3-thiazole
CID 58359101
2,4,5-Trimethyl-2,3-dihydro-1,3-thiazole
CID 85816307
Ethane;2,4,5-trimethyl-2,3-dihydro-1,3-thiazole
CID 143942272
2,4-Dimethyl-5-propan-2-yl-2,3-dihydro-1,3-thiazole;ethane
CID 145152017
2-Ethyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole
CID 146609719
2,3,5-Trimethyl-4,5,6,7-tetrahydro-1,4-thiazepine
CID 167142424
2,3-Dimethyl-4,5,6,7-tetrahydro-1,4-thiazepine
CID 167150703
4,5-Dimethyl-2-(2-methylpropyl)-2,3-dihydro-1,3-thiazole
CID 44181957
(4-methyl-2-propan-2-yl-3,6-dihydro-2H-1,3-thiazin-5-yl)methanethiol
CID 155748976

Frequently Asked Questions

What is the IUPAC name of (2S)-4,5-dimethyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole?
The IUPAC name of (2S)-4,5-dimethyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole (CID 59954979) is (2S)-4,5-dimethyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for (2S)-4,5-dimethyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole?
The canonical SMILES for (2S)-4,5-dimethyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole is CC1=C(C)S[C@@H](C(C)C)N1.
What is the InChIKey of (2S)-4,5-dimethyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole?
The InChIKey is LBNSMEOONYUWER-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15NS/c1-5(2)8-9-6(3)7(4)10-8/h5,8-9H,1-4H3/t8-/m0/s1.
What are the key properties of (2S)-4,5-dimethyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole?
(2S)-4,5-dimethyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole has a molecular weight of 157.28 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4,5-dimethyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 59954979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).