N-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine

C10H18N2S — CID 79824082

IUPACN-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine
SMILESCC(C)NCCCCc1nccs1
InChIInChI=1S/C10H18N2S/c1-9(2)11-6-4-3-5-10-12-7-8-13-10/h7-9,11H,3-6H2,1-2H3
InChIKeyXSEGIEZDWUOPQA-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.46
Rot. Bonds6

About N-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine

N-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine (PubChem CID 79824082) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is N-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine
PubChem CID79824082
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC NameN-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine
SMILESCC(C)NCCCCc1nccs1
InChIInChI=1S/C10H18N2S/c1-9(2)11-6-4-3-5-10-12-7-8-13-10/h7-9,11H,3-6H2,1-2H3
InChIKeyXSEGIEZDWUOPQA-UHFFFAOYSA-N
XLogP2.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.46
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 N-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine?
The IUPAC name of N-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine (CID 79824082) is N-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine.
What is the SMILES notation for N-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine?
The canonical SMILES for N-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine is CC(C)NCCCCc1nccs1.
What is the InChIKey of N-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine?
The InChIKey is XSEGIEZDWUOPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-9(2)11-6-4-3-5-10-12-7-8-13-10/h7-9,11H,3-6H2,1-2H3.
What are the key properties of N-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine?
N-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine has a molecular weight of 198.33 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine is sourced from PubChem (CID 79824082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).