2-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]propan-2-amine

C15H27N3S — CID 82433136

IUPAC2-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCCCc1nc(CCN2CCCC2)sc1C(C)(C)N
InChIInChI=1S/C15H27N3S/c1-4-7-12-14(15(2,3)16)19-13(17-12)8-11-18-9-5-6-10-18/h4-11,16H2,1-3H3
InChIKeyGWBPLALJIWQOTN-UHFFFAOYSA-N
MW281.47 g/mol
LogP2.93
Rot. Bonds6

About 2-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]propan-2-amine

2-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 82433136) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 2-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name2-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]propan-2-amine
PubChem CID82433136
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name2-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCCCc1nc(CCN2CCCC2)sc1C(C)(C)N
InChIInChI=1S/C15H27N3S/c1-4-7-12-14(15(2,3)16)19-13(17-12)8-11-18-9-5-6-10-18/h4-11,16H2,1-3H3
InChIKeyGWBPLALJIWQOTN-UHFFFAOYSA-N
XLogP2.93
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-(azepan-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82433222
2-[4-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine
CID 82430776
2-[2-[(2-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82432975
N-methyl-1-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methanamine
CID 82433121
2-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82432070
2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-amine
CID 82515335
2-[4-methyl-2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82427748
1-[2-[2-(azepan-1-yl)ethyl]-4-ethyl-1,3-thiazol-5-yl]ethanamine
CID 82430846
4-butyl-2-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxylic acid
CID 82227551
2-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82432132
N-[[2-[2-(azepan-1-yl)ethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82430831
N-[[4-ethyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82430699

Frequently Asked Questions

What is the IUPAC name of 2-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of 2-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]propan-2-amine (CID 82433136) is 2-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 2-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for 2-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]propan-2-amine is CCCc1nc(CCN2CCCC2)sc1C(C)(C)N.
What is the InChIKey of 2-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is GWBPLALJIWQOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-4-7-12-14(15(2,3)16)19-13(17-12)8-11-18-9-5-6-10-18/h4-11,16H2,1-3H3.
What are the key properties of 2-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]propan-2-amine?
2-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 281.47 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 82433136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).