(2S,3S)-2-(2-propan-2-yl-1,3-thiazol-4-yl)-1-propylpyrrolidin-3-amine

C13H23N3S — CID 178196692

IUPAC(2S,3S)-2-(2-propan-2-yl-1,3-thiazol-4-yl)-1-propylpyrrolidin-3-amine
SMILESCCCN1CC[C@H](N)[C@H]1c1csc(C(C)C)n1
InChIInChI=1S/C13H23N3S/c1-4-6-16-7-5-10(14)12(16)11-8-17-13(15-11)9(2)3/h8-10,12H,4-7,14H2,1-3H3/t10-,12-/m0/s1
InChIKeyYHYXZGAVLLOFCO-JQWIXIFHSA-N
MW253.41 g/mol
LogP2.75
Rot. Bonds4

About (2S,3S)-2-(2-propan-2-yl-1,3-thiazol-4-yl)-1-propylpyrrolidin-3-amine

(2S,3S)-2-(2-propan-2-yl-1,3-thiazol-4-yl)-1-propylpyrrolidin-3-amine (PubChem CID 178196692) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is (2S,3S)-2-(2-propan-2-yl-1,3-thiazol-4-yl)-1-propylpyrrolidin-3-amine.

Molecular Properties

Compound Name(2S,3S)-2-(2-propan-2-yl-1,3-thiazol-4-yl)-1-propylpyrrolidin-3-amine
PubChem CID178196692
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name(2S,3S)-2-(2-propan-2-yl-1,3-thiazol-4-yl)-1-propylpyrrolidin-3-amine
SMILESCCCN1CC[C@H](N)[C@H]1c1csc(C(C)C)n1
InChIInChI=1S/C13H23N3S/c1-4-6-16-7-5-10(14)12(16)11-8-17-13(15-11)9(2)3/h8-10,12H,4-7,14H2,1-3H3/t10-,12-/m0/s1
InChIKeyYHYXZGAVLLOFCO-JQWIXIFHSA-N
XLogP2.75
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(2-propan-2-yl-1,3-thiazol-4-yl)-1-propylpyrrolidin-3-amine?
The IUPAC name of (2S,3S)-2-(2-propan-2-yl-1,3-thiazol-4-yl)-1-propylpyrrolidin-3-amine (CID 178196692) is (2S,3S)-2-(2-propan-2-yl-1,3-thiazol-4-yl)-1-propylpyrrolidin-3-amine.
What is the SMILES notation for (2S,3S)-2-(2-propan-2-yl-1,3-thiazol-4-yl)-1-propylpyrrolidin-3-amine?
The canonical SMILES for (2S,3S)-2-(2-propan-2-yl-1,3-thiazol-4-yl)-1-propylpyrrolidin-3-amine is CCCN1CC[C@H](N)[C@H]1c1csc(C(C)C)n1.
What is the InChIKey of (2S,3S)-2-(2-propan-2-yl-1,3-thiazol-4-yl)-1-propylpyrrolidin-3-amine?
The InChIKey is YHYXZGAVLLOFCO-JQWIXIFHSA-N. The full InChI is InChI=1S/C13H23N3S/c1-4-6-16-7-5-10(14)12(16)11-8-17-13(15-11)9(2)3/h8-10,12H,4-7,14H2,1-3H3/t10-,12-/m0/s1.
What are the key properties of (2S,3S)-2-(2-propan-2-yl-1,3-thiazol-4-yl)-1-propylpyrrolidin-3-amine?
(2S,3S)-2-(2-propan-2-yl-1,3-thiazol-4-yl)-1-propylpyrrolidin-3-amine has a molecular weight of 253.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(2-propan-2-yl-1,3-thiazol-4-yl)-1-propylpyrrolidin-3-amine is sourced from PubChem (CID 178196692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).