5-butyl-1,3-thiazol-2-amine

C7H12N2S — CID 3822054

IUPAC5-butyl-1,3-thiazol-2-amine
SMILESCCCCc1cnc(N)s1
InChIInChI=1S/C7H12N2S/c1-2-3-4-6-5-9-7(8)10-6/h5H,2-4H2,1H3,(H2,8,9)
InChIKeyDSSQRZNGLWNALI-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.07
Rot. Bonds3

About 5-butyl-1,3-thiazol-2-amine

5-butyl-1,3-thiazol-2-amine (PubChem CID 3822054) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 5-butyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-butyl-1,3-thiazol-2-amine
PubChem CID3822054
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name5-butyl-1,3-thiazol-2-amine
SMILESCCCCc1cnc(N)s1
InChIInChI=1S/C7H12N2S/c1-2-3-4-6-5-9-7(8)10-6/h5H,2-4H2,1H3,(H2,8,9)
InChIKeyDSSQRZNGLWNALI-UHFFFAOYSA-N
XLogP2.07
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-1,3-thiazol-2-amine?
The IUPAC name of 5-butyl-1,3-thiazol-2-amine (CID 3822054) is 5-butyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-butyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-butyl-1,3-thiazol-2-amine is CCCCc1cnc(N)s1.
What is the InChIKey of 5-butyl-1,3-thiazol-2-amine?
The InChIKey is DSSQRZNGLWNALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-2-3-4-6-5-9-7(8)10-6/h5H,2-4H2,1H3,(H2,8,9).
What are the key properties of 5-butyl-1,3-thiazol-2-amine?
5-butyl-1,3-thiazol-2-amine has a molecular weight of 156.25 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1,3-thiazol-2-amine is sourced from PubChem (CID 3822054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).