2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-amine

C12H21N3S — CID 82515335

IUPAC2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1csc(CCN2CCCC2)n1
InChIInChI=1S/C12H21N3S/c1-12(2,13)10-9-16-11(14-10)5-8-15-6-3-4-7-15/h9H,3-8,13H2,1-2H3
InChIKeyLXVOCQOKUCSFHR-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.98
Rot. Bonds4

About 2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-amine

2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-amine (PubChem CID 82515335) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-amine
PubChem CID82515335
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1csc(CCN2CCCC2)n1
InChIInChI=1S/C12H21N3S/c1-12(2,13)10-9-16-11(14-10)5-8-15-6-3-4-7-15/h9H,3-8,13H2,1-2H3
InChIKeyLXVOCQOKUCSFHR-UHFFFAOYSA-N
XLogP1.98
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]propan-2-amine
CID 82515228
2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-ol
CID 82515336
2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]propan-2-ol
CID 82515229
2-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]propan-2-ol
CID 82515189
N-methyl-1-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]methanamine
CID 82193993
2-[2-(2-piperidin-1-ylethyl)-1,3-thiazol-4-yl]propan-1-amine
CID 115089632
2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carbonitrile
CID 82515352
2-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82433136
2-[2-[2-(azepan-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82433222
2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]acetonitrile
CID 82515340
2-[2-(4-tert-butylpiperazin-1-yl)ethyl]-4-(chloromethyl)-1,3-thiazole
CID 61433252
1-[2-[4-(1,1-diiodoethyl)-1,3-thiazol-2-yl]ethyl]piperidine-2,6-dione
CID 118889134

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-amine?
The IUPAC name of 2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-amine (CID 82515335) is 2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-amine is CC(C)(N)c1csc(CCN2CCCC2)n1.
What is the InChIKey of 2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-amine?
The InChIKey is LXVOCQOKUCSFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-12(2,13)10-9-16-11(14-10)5-8-15-6-3-4-7-15/h9H,3-8,13H2,1-2H3.
What are the key properties of 2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-amine?
2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-amine has a molecular weight of 239.39 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-amine is sourced from PubChem (CID 82515335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).