[(3R)-1-tert-butylpyrrolidin-3-yl]-(1,3-thiazol-2-yl)methanamine

C12H21N3S — CID 58420509

IUPAC[(3R)-1-tert-butylpyrrolidin-3-yl]-(1,3-thiazol-2-yl)methanamine
SMILESCC(C)(C)N1CC[C@@H](C(N)c2nccs2)C1
InChIInChI=1S/C12H21N3S/c1-12(2,3)15-6-4-9(8-15)10(13)11-14-5-7-16-11/h5,7,9-10H,4,6,8,13H2,1-3H3/t9-,10?/m1/s1
InChIKeyWFJNZRVNBNCKCT-YHMJZVADSA-N
MW239.39 g/mol
LogP2.26
Rot. Bonds2

About [(3R)-1-tert-butylpyrrolidin-3-yl]-(1,3-thiazol-2-yl)methanamine

[(3R)-1-tert-butylpyrrolidin-3-yl]-(1,3-thiazol-2-yl)methanamine (PubChem CID 58420509) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is [(3R)-1-tert-butylpyrrolidin-3-yl]-(1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name[(3R)-1-tert-butylpyrrolidin-3-yl]-(1,3-thiazol-2-yl)methanamine
PubChem CID58420509
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name[(3R)-1-tert-butylpyrrolidin-3-yl]-(1,3-thiazol-2-yl)methanamine
SMILESCC(C)(C)N1CC[C@@H](C(N)c2nccs2)C1
InChIInChI=1S/C12H21N3S/c1-12(2,3)15-6-4-9(8-15)10(13)11-14-5-7-16-11/h5,7,9-10H,4,6,8,13H2,1-3H3/t9-,10?/m1/s1
InChIKeyWFJNZRVNBNCKCT-YHMJZVADSA-N
XLogP2.26
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-tert-butylpyrrolidin-3-yl]-(1,3-thiazol-2-yl)methanamine?
The IUPAC name of [(3R)-1-tert-butylpyrrolidin-3-yl]-(1,3-thiazol-2-yl)methanamine (CID 58420509) is [(3R)-1-tert-butylpyrrolidin-3-yl]-(1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for [(3R)-1-tert-butylpyrrolidin-3-yl]-(1,3-thiazol-2-yl)methanamine?
The canonical SMILES for [(3R)-1-tert-butylpyrrolidin-3-yl]-(1,3-thiazol-2-yl)methanamine is CC(C)(C)N1CC[C@@H](C(N)c2nccs2)C1.
What is the InChIKey of [(3R)-1-tert-butylpyrrolidin-3-yl]-(1,3-thiazol-2-yl)methanamine?
The InChIKey is WFJNZRVNBNCKCT-YHMJZVADSA-N. The full InChI is InChI=1S/C12H21N3S/c1-12(2,3)15-6-4-9(8-15)10(13)11-14-5-7-16-11/h5,7,9-10H,4,6,8,13H2,1-3H3/t9-,10?/m1/s1.
What are the key properties of [(3R)-1-tert-butylpyrrolidin-3-yl]-(1,3-thiazol-2-yl)methanamine?
[(3R)-1-tert-butylpyrrolidin-3-yl]-(1,3-thiazol-2-yl)methanamine has a molecular weight of 239.39 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-tert-butylpyrrolidin-3-yl]-(1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 58420509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).