4-butan-2-yl-1,3-thiazol-2-amine

C7H12N2S — CID 13253356

IUPAC4-butan-2-yl-1,3-thiazol-2-amine
SMILESCCC(C)c1csc(N)n1
InChIInChI=1S/C7H12N2S/c1-3-5(2)6-4-10-7(8)9-6/h4-5H,3H2,1-2H3,(H2,8,9)
InChIKeyUZWADJYISZVARR-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.24
Rot. Bonds2

About 4-butan-2-yl-1,3-thiazol-2-amine

4-butan-2-yl-1,3-thiazol-2-amine (PubChem CID 13253356) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 4-butan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-butan-2-yl-1,3-thiazol-2-amine
PubChem CID13253356
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name4-butan-2-yl-1,3-thiazol-2-amine
SMILESCCC(C)c1csc(N)n1
InChIInChI=1S/C7H12N2S/c1-3-5(2)6-4-10-7(8)9-6/h4-5H,3H2,1-2H3,(H2,8,9)
InChIKeyUZWADJYISZVARR-UHFFFAOYSA-N
XLogP2.24
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-butan-2-yl-1,3-thiazol-2-amine (CID 13253356) is 4-butan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-butan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-butan-2-yl-1,3-thiazol-2-amine is CCC(C)c1csc(N)n1.
What is the InChIKey of 4-butan-2-yl-1,3-thiazol-2-amine?
The InChIKey is UZWADJYISZVARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-3-5(2)6-4-10-7(8)9-6/h4-5H,3H2,1-2H3,(H2,8,9).
What are the key properties of 4-butan-2-yl-1,3-thiazol-2-amine?
4-butan-2-yl-1,3-thiazol-2-amine has a molecular weight of 156.25 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 13253356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).