2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]propan-2-amine

C12H20N2OS — CID 82429608

IUPAC2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCCc1nc(C2CCCO2)sc1C(C)(C)N
InChIInChI=1S/C12H20N2OS/c1-4-8-10(12(2,3)13)16-11(14-8)9-6-5-7-15-9/h9H,4-7,13H2,1-3H3
InChIKeyLDPTWGJHWLSVOS-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.75
Rot. Bonds3

About 2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]propan-2-amine

2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 82429608) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]propan-2-amine
PubChem CID82429608
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCCc1nc(C2CCCO2)sc1C(C)(C)N
InChIInChI=1S/C12H20N2OS/c1-4-8-10(12(2,3)13)16-11(14-8)9-6-5-7-15-9/h9H,4-7,13H2,1-3H3
InChIKeyLDPTWGJHWLSVOS-UHFFFAOYSA-N
XLogP2.75
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]propan-2-ol
CID 82429607
2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetonitrile
CID 82429602
2-methyl-N-[[2-(oxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364662
5-(bromomethyl)-4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazole
CID 82439049
4-(methoxymethyl)-2-(oxolan-2-yl)-1,3-thiazole-5-carbothioamide
CID 82440935
1-[4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethanone
CID 82439059
N-methyl-1-[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methanamine
CID 65328159
5,5-dimethyl-2-(oxolan-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 65328879
[2-(oxolan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
CID 82434676
2-[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetic acid
CID 65331290
N-[[4-(methoxymethyl)-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopentanamine
CID 82440933
2-methyl-5-(oxolan-2-yl)-1,3,4-thiadiazole
CID 58853375

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of 2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]propan-2-amine (CID 82429608) is 2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for 2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]propan-2-amine is CCc1nc(C2CCCO2)sc1C(C)(C)N.
What is the InChIKey of 2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is LDPTWGJHWLSVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-4-8-10(12(2,3)13)16-11(14-8)9-6-5-7-15-9/h9H,4-7,13H2,1-3H3.
What are the key properties of 2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]propan-2-amine?
2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 240.37 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 82429608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).