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

C8H15NS — CID 58359101

IUPAC2,4-dimethyl-5-propan-2-yl-2,3-dihydro-1,3-thiazole
SMILESCC1=C(C(C)C)SC(C)N1
InChIInChI=1S/C8H15NS/c1-5(2)8-6(3)9-7(4)10-8/h5,7,9H,1-4H3
InChIKeyNKJURVFOJMZDMY-UHFFFAOYSA-N
MW157.28 g/mol
LogP2.56
Rot. Bonds1

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

2,4-dimethyl-5-propan-2-yl-2,3-dihydro-1,3-thiazole (PubChem CID 58359101) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 2,4-dimethyl-5-propan-2-yl-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-5-propan-2-yl-2,3-dihydro-1,3-thiazole
PubChem CID58359101
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name2,4-dimethyl-5-propan-2-yl-2,3-dihydro-1,3-thiazole
SMILESCC1=C(C(C)C)SC(C)N1
InChIInChI=1S/C8H15NS/c1-5(2)8-6(3)9-7(4)10-8/h5,7,9H,1-4H3
InChIKeyNKJURVFOJMZDMY-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 2,4-dimethyl-5-propan-2-yl-2,3-dihydro-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

5-Tert-butyl-2-methyl-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazole
CID 58027289
4,5-Dimethyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole
CID 23384098
4,5-Di(propan-2-yl)-2,3-dihydro-1,3-thiazole
CID 57632394
5,6-di(propan-2-yl)-3,4-dihydro-2H-1,4-thiazine
CID 57632397
(2S)-4,5-dimethyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole
CID 59954979
5-Methyl-4-propan-2-yl-2,3-dihydro-1,3-thiazole
CID 68250932
5-Tert-butyl-4-methyl-2,3-dihydro-1,3-thiazole
CID 89007710
6-methyl-5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine
CID 89036740
5-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-thiazine
CID 89041216
4-Butan-2-yl-2,5-dimethyl-2,3-dihydro-1,3-thiazole
CID 130420194
5-Ethyl-2-methyl-4-propyl-2,3-dihydro-1,3-thiazole
CID 132196857
ethane;2-methyl-N-(1-methylsulfanylethyl)pent-2-en-3-amine
CID 141769252

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-propan-2-yl-2,3-dihydro-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-5-propan-2-yl-2,3-dihydro-1,3-thiazole (CID 58359101) is 2,4-dimethyl-5-propan-2-yl-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-5-propan-2-yl-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-5-propan-2-yl-2,3-dihydro-1,3-thiazole is CC1=C(C(C)C)SC(C)N1.
What is the InChIKey of 2,4-dimethyl-5-propan-2-yl-2,3-dihydro-1,3-thiazole?
The InChIKey is NKJURVFOJMZDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-5(2)8-6(3)9-7(4)10-8/h5,7,9H,1-4H3.
What are the key properties of 2,4-dimethyl-5-propan-2-yl-2,3-dihydro-1,3-thiazole?
2,4-dimethyl-5-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 2,4-dimethyl-5-propan-2-yl-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 58359101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).