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

C8H15NS — CID 23384098

IUPAC4,5-dimethyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole
SMILESCC1=C(C)SC(C(C)C)N1
InChIInChI=1S/C8H15NS/c1-5(2)8-9-6(3)7(4)10-8/h5,8-9H,1-4H3
InChIKeyLBNSMEOONYUWER-UHFFFAOYSA-N
MW157.28 g/mol
LogP2.56
Rot. Bonds1

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

4,5-dimethyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole (PubChem CID 23384098) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 4,5-dimethyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole
PubChem CID23384098
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name4,5-dimethyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole
SMILESCC1=C(C)SC(C(C)C)N1
InChIInChI=1S/C8H15NS/c1-5(2)8-9-6(3)7(4)10-8/h5,8-9H,1-4H3
InChIKeyLBNSMEOONYUWER-UHFFFAOYSA-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

Analyze 4,5-dimethyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

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
(2S)-4,5-dimethyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole
CID 59954979
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 4,5-dimethyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole (CID 23384098) is 4,5-dimethyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole is CC1=C(C)SC(C(C)C)N1.
What is the InChIKey of 4,5-dimethyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole?
The InChIKey is LBNSMEOONYUWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-5(2)8-9-6(3)7(4)10-8/h5,8-9H,1-4H3.
What are the key properties of 4,5-dimethyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole?
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 4,5-dimethyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 23384098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).