5-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine

C11H19N3S — CID 115883982

IUPAC5-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCC(C)C1CCN(Cc2cnc(N)s2)C1
InChIInChI=1S/C11H19N3S/c1-8(2)9-3-4-14(6-9)7-10-5-13-11(12)15-10/h5,8-9H,3-4,6-7H2,1-2H3,(H2,12,13)
InChIKeyFREQARPISUBDFM-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.20
Rot. Bonds3

About 5-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine

5-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 115883982) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 5-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
PubChem CID115883982
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name5-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCC(C)C1CCN(Cc2cnc(N)s2)C1
InChIInChI=1S/C11H19N3S/c1-8(2)9-3-4-14(6-9)7-10-5-13-11(12)15-10/h5,8-9H,3-4,6-7H2,1-2H3,(H2,12,13)
InChIKeyFREQARPISUBDFM-UHFFFAOYSA-N
XLogP2.20
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903499
5-[[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901379
5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771816
[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanol;hydrochloride
CID 120899572
5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771683
5-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 82171608
5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79772023
5-[(2-ethylmorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 79771446
5-[(3-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901193
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide;hydrochloride
CID 120902111
5-[(2-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 115882742
5-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899501

Frequently Asked Questions

What is the IUPAC name of 5-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine (CID 115883982) is 5-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine is CC(C)C1CCN(Cc2cnc(N)s2)C1.
What is the InChIKey of 5-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is FREQARPISUBDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-8(2)9-3-4-14(6-9)7-10-5-13-11(12)15-10/h5,8-9H,3-4,6-7H2,1-2H3,(H2,12,13).
What are the key properties of 5-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine?
5-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 225.36 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 115883982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).