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

C14H25N3S — CID 82435434

IUPAC1-[4-propan-2-yl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(C)c1nc(CCN2CCCC2)sc1C(C)N
InChIInChI=1S/C14H25N3S/c1-10(2)13-14(11(3)15)18-12(16-13)6-9-17-7-4-5-8-17/h10-11H,4-9,15H2,1-3H3
InChIKeyQEOHOBRPEFINIY-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.92
Rot. Bonds5

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

1-[4-propan-2-yl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 82435434) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-[4-propan-2-yl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[4-propan-2-yl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID82435434
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name1-[4-propan-2-yl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(C)c1nc(CCN2CCCC2)sc1C(C)N
InChIInChI=1S/C14H25N3S/c1-10(2)13-14(11(3)15)18-12(16-13)6-9-17-7-4-5-8-17/h10-11H,4-9,15H2,1-3H3
InChIKeyQEOHOBRPEFINIY-UHFFFAOYSA-N
XLogP2.92
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 82435252
1-[2-[2-(3-methylpiperidin-1-yl)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine
CID 82435460
1-[2-[2-(azepan-1-yl)ethyl]-4-ethyl-1,3-thiazol-5-yl]ethanamine
CID 82430846
2-[2-(azepan-1-yl)ethyl]-4-propan-2-yl-1,3-thiazole-5-carbonitrile
CID 82435508
1-[2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine
CID 82435350
1-[2-[(2-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine
CID 82435273
1-[4-(methoxymethyl)-2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]ethanamine
CID 82441721
1-[4-ethyl-2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]ethanamine
CID 82430826
1-[4-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanamine
CID 82437884
2-[2-(2-piperidin-1-ylethyl)-1,3-thiazol-4-yl]propan-1-amine
CID 115089632
2-[2-(1,4-diazepan-1-yl)ethyl]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227570
2-methyl-N-[[4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82427637

Frequently Asked Questions

What is the IUPAC name of 1-[4-propan-2-yl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[4-propan-2-yl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanamine (CID 82435434) is 1-[4-propan-2-yl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[4-propan-2-yl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[4-propan-2-yl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanamine is CC(C)c1nc(CCN2CCCC2)sc1C(C)N.
What is the InChIKey of 1-[4-propan-2-yl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is QEOHOBRPEFINIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-10(2)13-14(11(3)15)18-12(16-13)6-9-17-7-4-5-8-17/h10-11H,4-9,15H2,1-3H3.
What are the key properties of 1-[4-propan-2-yl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanamine?
1-[4-propan-2-yl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 267.44 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-propan-2-yl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 82435434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).