(4S)-4-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-1,3-thiazole

C9H16N2S — CID 141361870

IUPAC(4S)-4-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-1,3-thiazole
SMILESC1=N[C@@H](CCN2CCCC2)CS1
InChIInChI=1S/C9H16N2S/c1-2-5-11(4-1)6-3-9-7-12-8-10-9/h8-9H,1-7H2/t9-/m0/s1
InChIKeyOAEYAEJILAZODI-VIFPVBQESA-N
MW184.31 g/mol
LogP1.62
Rot. Bonds3

About (4S)-4-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-1,3-thiazole

(4S)-4-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-1,3-thiazole (PubChem CID 141361870) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is (4S)-4-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(4S)-4-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-1,3-thiazole
PubChem CID141361870
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name(4S)-4-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-1,3-thiazole
SMILESC1=N[C@@H](CCN2CCCC2)CS1
InChIInChI=1S/C9H16N2S/c1-2-5-11(4-1)6-3-9-7-12-8-10-9/h8-9H,1-7H2/t9-/m0/s1
InChIKeyOAEYAEJILAZODI-VIFPVBQESA-N
XLogP1.62
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]thiazole
CID 89144813
(4R)-4-(pyrrolidin-1-ylmethyl)-4,5-dihydro-1,3-thiazole
CID 141243070
(4R)-4-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-1,3-thiazole
CID 141340738
(3S)-1-[2-[(4S)-4,5-dihydro-1,3-thiazol-4-yl]ethyl]pyrrolidin-3-amine
CID 141361861
(3R)-1-[2-[(4R)-4,5-dihydro-1,3-thiazol-4-yl]ethyl]pyrrolidin-3-amine
CID 141361864
3-Butyl-4-methyl-4,5-dihydro-1,3-thiazol-3-ium
CID 86048817

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of (4S)-4-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-1,3-thiazole (CID 141361870) is (4S)-4-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (4S)-4-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (4S)-4-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-1,3-thiazole is C1=N[C@@H](CCN2CCCC2)CS1.
What is the InChIKey of (4S)-4-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-1,3-thiazole?
The InChIKey is OAEYAEJILAZODI-VIFPVBQESA-N. The full InChI is InChI=1S/C9H16N2S/c1-2-5-11(4-1)6-3-9-7-12-8-10-9/h8-9H,1-7H2/t9-/m0/s1.
What are the key properties of (4S)-4-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-1,3-thiazole?
(4S)-4-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-1,3-thiazole has a molecular weight of 184.31 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 141361870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).