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

C6H11NS — CID 58473813

IUPAC4-propan-2-yl-4,5-dihydro-1,3-thiazole
SMILESCC(C)C1CSC=N1
InChIInChI=1S/C6H11NS/c1-5(2)6-3-8-4-7-6/h4-6H,3H2,1-2H3
InChIKeyOSZOKLGRQLTHPQ-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.79
Rot. Bonds1

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

4-propan-2-yl-4,5-dihydro-1,3-thiazole (PubChem CID 58473813) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 4-propan-2-yl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name4-propan-2-yl-4,5-dihydro-1,3-thiazole
PubChem CID58473813
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name4-propan-2-yl-4,5-dihydro-1,3-thiazole
SMILESCC(C)C1CSC=N1
InChIInChI=1S/C6H11NS/c1-5(2)6-3-8-4-7-6/h4-6H,3H2,1-2H3
InChIKeyOSZOKLGRQLTHPQ-UHFFFAOYSA-N
XLogP1.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Thiazole, 4,5-dihydro-2-methyl-4-(1-methylethyl)-
CID 199408
(s)-4-Isopropyl-4,5-dihydro-thiazole
CID 101620143
3,4-Dimethyl-4,5-dihydro-1,3-thiazol-3-ium
CID 19826786
4-Methylthiazoline
CID 21278646
4-Ethyl-4-methylthiazole
CID 91504526
(4S)-2-methyl-4-propan-2-yl-4,5-dihydro-1,3-thiazole
CID 10725462
4-Ethyl-4,5-dihydro-1,3-thiazole
CID 13901675
4,4-dimethyl-5H-1,3-thiazole
CID 13901676
4,5-Dimethyl-4,5-dihydro-1,3-thiazole
CID 18350318
(4R,5S)-4,5-dimethyl-5,6-dihydro-4H-1,3-thiazine
CID 58230853
(5S,6S)-5,6-dimethyl-5,6-dihydro-4H-1,3-thiazine
CID 58230856
4-propan-2-yl-5,6-dihydro-4H-1,3-thiazine
CID 58473771

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 4-propan-2-yl-4,5-dihydro-1,3-thiazole (CID 58473813) is 4-propan-2-yl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 4-propan-2-yl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 4-propan-2-yl-4,5-dihydro-1,3-thiazole is CC(C)C1CSC=N1.
What is the InChIKey of 4-propan-2-yl-4,5-dihydro-1,3-thiazole?
The InChIKey is OSZOKLGRQLTHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-5(2)6-3-8-4-7-6/h4-6H,3H2,1-2H3.
What are the key properties of 4-propan-2-yl-4,5-dihydro-1,3-thiazole?
4-propan-2-yl-4,5-dihydro-1,3-thiazole has a molecular weight of 129.23 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 58473813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).