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

C11H20N2S — CID 151439314

IUPAC1-(4-ethyl-5-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine
SMILESCCc1nc(CC(C)N)sc1C(C)C
InChIInChI=1S/C11H20N2S/c1-5-9-11(7(2)3)14-10(13-9)6-8(4)12/h7-8H,5-6,12H2,1-4H3
InChIKeyPEEMTXVKJQQPGD-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.72
Rot. Bonds4

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

1-(4-ethyl-5-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine (PubChem CID 151439314) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 1-(4-ethyl-5-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-ethyl-5-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine
PubChem CID151439314
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name1-(4-ethyl-5-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine
SMILESCCc1nc(CC(C)N)sc1C(C)C
InChIInChI=1S/C11H20N2S/c1-5-9-11(7(2)3)14-10(13-9)6-8(4)12/h7-8H,5-6,12H2,1-4H3
InChIKeyPEEMTXVKJQQPGD-UHFFFAOYSA-N
XLogP2.72
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-5-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of 1-(4-ethyl-5-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine (CID 151439314) is 1-(4-ethyl-5-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(4-ethyl-5-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for 1-(4-ethyl-5-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine is CCc1nc(CC(C)N)sc1C(C)C.
What is the InChIKey of 1-(4-ethyl-5-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is PEEMTXVKJQQPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-5-9-11(7(2)3)14-10(13-9)6-8(4)12/h7-8H,5-6,12H2,1-4H3.
What are the key properties of 1-(4-ethyl-5-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine?
1-(4-ethyl-5-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 212.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-5-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 151439314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).