2-(3-tert-butylpyrrolidin-1-yl)-1,3-thiazol-5-amine

C11H19N3S — CID 102768988

IUPAC2-(3-tert-butylpyrrolidin-1-yl)-1,3-thiazol-5-amine
SMILESCC(C)(C)C1CCN(c2ncc(N)s2)C1
InChIInChI=1S/C11H19N3S/c1-11(2,3)8-4-5-14(7-8)10-13-6-9(12)15-10/h6,8H,4-5,7,12H2,1-3H3
InChIKeyPGIDSEBWCMOKOK-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.60
Rot. Bonds1

About 2-(3-tert-butylpyrrolidin-1-yl)-1,3-thiazol-5-amine

2-(3-tert-butylpyrrolidin-1-yl)-1,3-thiazol-5-amine (PubChem CID 102768988) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-(3-tert-butylpyrrolidin-1-yl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-(3-tert-butylpyrrolidin-1-yl)-1,3-thiazol-5-amine
PubChem CID102768988
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-(3-tert-butylpyrrolidin-1-yl)-1,3-thiazol-5-amine
SMILESCC(C)(C)C1CCN(c2ncc(N)s2)C1
InChIInChI=1S/C11H19N3S/c1-11(2,3)8-4-5-14(7-8)10-13-6-9(12)15-10/h6,8H,4-5,7,12H2,1-3H3
InChIKeyPGIDSEBWCMOKOK-UHFFFAOYSA-N
XLogP2.60
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyrrolidin-1-yl-1,3-thiazol-5-amine
CID 66520588
[1-(5-amino-1,3-thiazol-2-yl)piperidin-3-yl]methanol
CID 102767699
1-[2-(3-tert-butylpyrrolidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 113419170
1-[2-(4-tert-butylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-ethylethanamine
CID 62753720
1-(5-amino-1,3-thiazol-2-yl)-5-methylpiperidin-3-ol
CID 130802698
2-(5-amino-1,3-thiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 102768954
2-(2,3,4-trimethylpyrrolidin-1-yl)-1,3-thiazol-5-amine
CID 130871154
5-(4-tert-butylpiperidin-1-yl)pyrazin-2-amine
CID 80652911
2-(3-tert-butylpyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde
CID 113419190
N-[[5-(3-tert-butylpyrrolidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 107380836
(3S)-N,N-diethyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine
CID 164637805
2-(4-benzyl-5-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-amine
CID 130834693

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylpyrrolidin-1-yl)-1,3-thiazol-5-amine?
The IUPAC name of 2-(3-tert-butylpyrrolidin-1-yl)-1,3-thiazol-5-amine (CID 102768988) is 2-(3-tert-butylpyrrolidin-1-yl)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-(3-tert-butylpyrrolidin-1-yl)-1,3-thiazol-5-amine?
The canonical SMILES for 2-(3-tert-butylpyrrolidin-1-yl)-1,3-thiazol-5-amine is CC(C)(C)C1CCN(c2ncc(N)s2)C1.
What is the InChIKey of 2-(3-tert-butylpyrrolidin-1-yl)-1,3-thiazol-5-amine?
The InChIKey is PGIDSEBWCMOKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-11(2,3)8-4-5-14(7-8)10-13-6-9(12)15-10/h6,8H,4-5,7,12H2,1-3H3.
What are the key properties of 2-(3-tert-butylpyrrolidin-1-yl)-1,3-thiazol-5-amine?
2-(3-tert-butylpyrrolidin-1-yl)-1,3-thiazol-5-amine has a molecular weight of 225.36 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylpyrrolidin-1-yl)-1,3-thiazol-5-amine is sourced from PubChem (CID 102768988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).