1-[2-(2-methylpropyl)-1,3-thiazol-4-yl]ethanamine

C9H16N2S — CID 64544064

IUPAC1-[2-(2-methylpropyl)-1,3-thiazol-4-yl]ethanamine
SMILESCC(C)Cc1nc(C(C)N)cs1
InChIInChI=1S/C9H16N2S/c1-6(2)4-9-11-8(5-12-9)7(3)10/h5-7H,4,10H2,1-3H3
InChIKeyGCIDAEDHVUOKEU-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.36
Rot. Bonds3

About 1-[2-(2-methylpropyl)-1,3-thiazol-4-yl]ethanamine

1-[2-(2-methylpropyl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 64544064) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 1-[2-(2-methylpropyl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(2-methylpropyl)-1,3-thiazol-4-yl]ethanamine
PubChem CID64544064
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name1-[2-(2-methylpropyl)-1,3-thiazol-4-yl]ethanamine
SMILESCC(C)Cc1nc(C(C)N)cs1
InChIInChI=1S/C9H16N2S/c1-6(2)4-9-11-8(5-12-9)7(3)10/h5-7H,4,10H2,1-3H3
InChIKeyGCIDAEDHVUOKEU-UHFFFAOYSA-N
XLogP2.36
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropyl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 1-[2-(2-methylpropyl)-1,3-thiazol-4-yl]ethanamine (CID 64544064) is 1-[2-(2-methylpropyl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 1-[2-(2-methylpropyl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 1-[2-(2-methylpropyl)-1,3-thiazol-4-yl]ethanamine is CC(C)Cc1nc(C(C)N)cs1.
What is the InChIKey of 1-[2-(2-methylpropyl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is GCIDAEDHVUOKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-6(2)4-9-11-8(5-12-9)7(3)10/h5-7H,4,10H2,1-3H3.
What are the key properties of 1-[2-(2-methylpropyl)-1,3-thiazol-4-yl]ethanamine?
1-[2-(2-methylpropyl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 184.31 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropyl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 64544064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).