4-pentyl-2-propan-2-yl-1,3-thiazol-5-amine

C11H20N2S — CID 62075189

IUPAC4-pentyl-2-propan-2-yl-1,3-thiazol-5-amine
SMILESCCCCCc1nc(C(C)C)sc1N
InChIInChI=1S/C11H20N2S/c1-4-5-6-7-9-10(12)14-11(13-9)8(2)3/h8H,4-7,12H2,1-3H3
InChIKeyRRJITKPCTGSOSE-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.58
Rot. Bonds5

About 4-pentyl-2-propan-2-yl-1,3-thiazol-5-amine

4-pentyl-2-propan-2-yl-1,3-thiazol-5-amine (PubChem CID 62075189) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 4-pentyl-2-propan-2-yl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-pentyl-2-propan-2-yl-1,3-thiazol-5-amine
PubChem CID62075189
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name4-pentyl-2-propan-2-yl-1,3-thiazol-5-amine
SMILESCCCCCc1nc(C(C)C)sc1N
InChIInChI=1S/C11H20N2S/c1-4-5-6-7-9-10(12)14-11(13-9)8(2)3/h8H,4-7,12H2,1-3H3
InChIKeyRRJITKPCTGSOSE-UHFFFAOYSA-N
XLogP3.58
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-pentyl-2-propan-2-yl-1,3-thiazol-5-amine?
The IUPAC name of 4-pentyl-2-propan-2-yl-1,3-thiazol-5-amine (CID 62075189) is 4-pentyl-2-propan-2-yl-1,3-thiazol-5-amine.
What is the SMILES notation for 4-pentyl-2-propan-2-yl-1,3-thiazol-5-amine?
The canonical SMILES for 4-pentyl-2-propan-2-yl-1,3-thiazol-5-amine is CCCCCc1nc(C(C)C)sc1N.
What is the InChIKey of 4-pentyl-2-propan-2-yl-1,3-thiazol-5-amine?
The InChIKey is RRJITKPCTGSOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-4-5-6-7-9-10(12)14-11(13-9)8(2)3/h8H,4-7,12H2,1-3H3.
What are the key properties of 4-pentyl-2-propan-2-yl-1,3-thiazol-5-amine?
4-pentyl-2-propan-2-yl-1,3-thiazol-5-amine has a molecular weight of 212.36 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-2-propan-2-yl-1,3-thiazol-5-amine is sourced from PubChem (CID 62075189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).