(4R)-4-(pyrrolidin-1-ylmethyl)-4,5-dihydro-1,3-thiazole

C8H14N2S — CID 141243070

IUPAC(4R)-4-(pyrrolidin-1-ylmethyl)-4,5-dihydro-1,3-thiazole
SMILESC1=N[C@H](CN2CCCC2)CS1
InChIInChI=1S/C8H14N2S/c1-2-4-10(3-1)5-8-6-11-7-9-8/h7-8H,1-6H2/t8-/m1/s1
InChIKeyDUIUCYKKEUDLCU-MRVPVSSYSA-N
MW170.28 g/mol
LogP1.23
Rot. Bonds2

About (4R)-4-(pyrrolidin-1-ylmethyl)-4,5-dihydro-1,3-thiazole

(4R)-4-(pyrrolidin-1-ylmethyl)-4,5-dihydro-1,3-thiazole (PubChem CID 141243070) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is (4R)-4-(pyrrolidin-1-ylmethyl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(4R)-4-(pyrrolidin-1-ylmethyl)-4,5-dihydro-1,3-thiazole
PubChem CID141243070
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name(4R)-4-(pyrrolidin-1-ylmethyl)-4,5-dihydro-1,3-thiazole
SMILESC1=N[C@H](CN2CCCC2)CS1
InChIInChI=1S/C8H14N2S/c1-2-4-10(3-1)5-8-6-11-7-9-8/h7-8H,1-6H2/t8-/m1/s1
InChIKeyDUIUCYKKEUDLCU-MRVPVSSYSA-N
XLogP1.23
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(pyrrolidin-1-ylmethyl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of (4R)-4-(pyrrolidin-1-ylmethyl)-4,5-dihydro-1,3-thiazole (CID 141243070) is (4R)-4-(pyrrolidin-1-ylmethyl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (4R)-4-(pyrrolidin-1-ylmethyl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (4R)-4-(pyrrolidin-1-ylmethyl)-4,5-dihydro-1,3-thiazole is C1=N[C@H](CN2CCCC2)CS1.
What is the InChIKey of (4R)-4-(pyrrolidin-1-ylmethyl)-4,5-dihydro-1,3-thiazole?
The InChIKey is DUIUCYKKEUDLCU-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-2-4-10(3-1)5-8-6-11-7-9-8/h7-8H,1-6H2/t8-/m1/s1.
What are the key properties of (4R)-4-(pyrrolidin-1-ylmethyl)-4,5-dihydro-1,3-thiazole?
(4R)-4-(pyrrolidin-1-ylmethyl)-4,5-dihydro-1,3-thiazole has a molecular weight of 170.28 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(pyrrolidin-1-ylmethyl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 141243070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).