5-[1-(butylamino)ethyl]-4-methyl-1,3-thiazol-2-amine

C10H19N3S — CID 87904340

IUPAC5-[1-(butylamino)ethyl]-4-methyl-1,3-thiazol-2-amine
SMILESCCCCNC(C)c1sc(N)nc1C
InChIInChI=1S/C10H19N3S/c1-4-5-6-12-7(2)9-8(3)13-10(11)14-9/h7,12H,4-6H2,1-3H3,(H2,11,13)
InChIKeyONANWCNWTIVUNZ-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.48
Rot. Bonds5

About 5-[1-(butylamino)ethyl]-4-methyl-1,3-thiazol-2-amine

5-[1-(butylamino)ethyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 87904340) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 5-[1-(butylamino)ethyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[1-(butylamino)ethyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID87904340
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name5-[1-(butylamino)ethyl]-4-methyl-1,3-thiazol-2-amine
SMILESCCCCNC(C)c1sc(N)nc1C
InChIInChI=1S/C10H19N3S/c1-4-5-6-12-7(2)9-8(3)13-10(11)14-9/h7,12H,4-6H2,1-3H3,(H2,11,13)
InChIKeyONANWCNWTIVUNZ-UHFFFAOYSA-N
XLogP2.48
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-[1-(butylamino)ethyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[1-(butylamino)ethyl]-4-methyl-1,3-thiazol-2-amine (CID 87904340) is 5-[1-(butylamino)ethyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[1-(butylamino)ethyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[1-(butylamino)ethyl]-4-methyl-1,3-thiazol-2-amine is CCCCNC(C)c1sc(N)nc1C.
What is the InChIKey of 5-[1-(butylamino)ethyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is ONANWCNWTIVUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-4-5-6-12-7(2)9-8(3)13-10(11)14-9/h7,12H,4-6H2,1-3H3,(H2,11,13).
What are the key properties of 5-[1-(butylamino)ethyl]-4-methyl-1,3-thiazol-2-amine?
5-[1-(butylamino)ethyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 213.35 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(butylamino)ethyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 87904340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).