(3S)-1-[2-[(4S)-4,5-dihydro-1,3-thiazol-4-yl]ethyl]pyrrolidin-3-amine

C9H17N3S — CID 141361861

IUPAC(3S)-1-[2-[(4S)-4,5-dihydro-1,3-thiazol-4-yl]ethyl]pyrrolidin-3-amine
SMILESN[C@H]1CCN(CC[C@H]2CSC=N2)C1
InChIInChI=1S/C9H17N3S/c10-8-1-3-12(5-8)4-2-9-6-13-7-11-9/h7-9H,1-6,10H2/t8-,9-/m0/s1
InChIKeyHSEGSQBIKXOXIM-IUCAKERBSA-N
MW199.32 g/mol
LogP0.55
Rot. Bonds3

About (3S)-1-[2-[(4S)-4,5-dihydro-1,3-thiazol-4-yl]ethyl]pyrrolidin-3-amine

(3S)-1-[2-[(4S)-4,5-dihydro-1,3-thiazol-4-yl]ethyl]pyrrolidin-3-amine (PubChem CID 141361861) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is (3S)-1-[2-[(4S)-4,5-dihydro-1,3-thiazol-4-yl]ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[2-[(4S)-4,5-dihydro-1,3-thiazol-4-yl]ethyl]pyrrolidin-3-amine
PubChem CID141361861
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name(3S)-1-[2-[(4S)-4,5-dihydro-1,3-thiazol-4-yl]ethyl]pyrrolidin-3-amine
SMILESN[C@H]1CCN(CC[C@H]2CSC=N2)C1
InChIInChI=1S/C9H17N3S/c10-8-1-3-12(5-8)4-2-9-6-13-7-11-9/h7-9H,1-6,10H2/t8-,9-/m0/s1
InChIKeyHSEGSQBIKXOXIM-IUCAKERBSA-N
XLogP0.55
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[(4S)-4,5-dihydro-1,3-thiazol-4-yl]ethyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-1-[2-[(4S)-4,5-dihydro-1,3-thiazol-4-yl]ethyl]pyrrolidin-3-amine (CID 141361861) is (3S)-1-[2-[(4S)-4,5-dihydro-1,3-thiazol-4-yl]ethyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-[2-[(4S)-4,5-dihydro-1,3-thiazol-4-yl]ethyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-[2-[(4S)-4,5-dihydro-1,3-thiazol-4-yl]ethyl]pyrrolidin-3-amine is N[C@H]1CCN(CC[C@H]2CSC=N2)C1.
What is the InChIKey of (3S)-1-[2-[(4S)-4,5-dihydro-1,3-thiazol-4-yl]ethyl]pyrrolidin-3-amine?
The InChIKey is HSEGSQBIKXOXIM-IUCAKERBSA-N. The full InChI is InChI=1S/C9H17N3S/c10-8-1-3-12(5-8)4-2-9-6-13-7-11-9/h7-9H,1-6,10H2/t8-,9-/m0/s1.
What are the key properties of (3S)-1-[2-[(4S)-4,5-dihydro-1,3-thiazol-4-yl]ethyl]pyrrolidin-3-amine?
(3S)-1-[2-[(4S)-4,5-dihydro-1,3-thiazol-4-yl]ethyl]pyrrolidin-3-amine has a molecular weight of 199.32 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-[(4S)-4,5-dihydro-1,3-thiazol-4-yl]ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 141361861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).