4-propyl-2,3-dihydro-1,3-thiazole

C6H11NS — CID 143008225

IUPAC4-propyl-2,3-dihydro-1,3-thiazole
SMILESCCCC1=CSCN1
InChIInChI=1S/C6H11NS/c1-2-3-6-4-8-5-7-6/h4,7H,2-3,5H2,1H3
InChIKeyIEXDHPSGURPVNP-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.92
Rot. Bonds2

About 4-propyl-2,3-dihydro-1,3-thiazole

4-propyl-2,3-dihydro-1,3-thiazole (PubChem CID 143008225) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 4-propyl-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name4-propyl-2,3-dihydro-1,3-thiazole
PubChem CID143008225
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name4-propyl-2,3-dihydro-1,3-thiazole
SMILESCCCC1=CSCN1
InChIInChI=1S/C6H11NS/c1-2-3-6-4-8-5-7-6/h4,7H,2-3,5H2,1H3
InChIKeyIEXDHPSGURPVNP-UHFFFAOYSA-N
XLogP1.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Thiazoline-2-thiol, 4-ethyl-
CID 3052681
4-Methyl-2,3-dihydrothiazole
CID 14942816
4-(Methylamino)pent-4-ene-1-thiol
CID 58262283
4-Tert-butyl-2,3-dihydro-1,3-thiazole
CID 69496239
4-Propan-2-yl-2,3-dihydro-1,3-thiazole
CID 69785917
4-ethyl-2-methylidene-3H-1,3-thiazole
CID 72574002
N-methyl-4-methylsulfanylbut-1-en-2-amine
CID 88219564
(Z)-2-(methylamino)but-1-ene-1-thiol
CID 88978512
N-[[(Z)-prop-1-enyl]sulfanylmethyl]but-1-en-2-amine
CID 129060251
N-methyl-1-(thiolan-2-yl)ethenamine
CID 129141689
4-(Methylamino)pent-4-ene-2-thione
CID 132148946
5-(Methylamino)hex-5-ene-2-thiol
CID 134365108

Frequently Asked Questions

What is the IUPAC name of 4-propyl-2,3-dihydro-1,3-thiazole?
The IUPAC name of 4-propyl-2,3-dihydro-1,3-thiazole (CID 143008225) is 4-propyl-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 4-propyl-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 4-propyl-2,3-dihydro-1,3-thiazole is CCCC1=CSCN1.
What is the InChIKey of 4-propyl-2,3-dihydro-1,3-thiazole?
The InChIKey is IEXDHPSGURPVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-2-3-6-4-8-5-7-6/h4,7H,2-3,5H2,1H3.
What are the key properties of 4-propyl-2,3-dihydro-1,3-thiazole?
4-propyl-2,3-dihydro-1,3-thiazole has a molecular weight of 129.23 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 143008225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).