4-but-1-enyl-1,3-thiazol-2-amine

C7H10N2S — CID 54445846

IUPAC4-but-1-enyl-1,3-thiazol-2-amine
SMILESCCC=Cc1csc(N)n1
InChIInChI=1S/C7H10N2S/c1-2-3-4-6-5-10-7(8)9-6/h3-5H,2H2,1H3,(H2,8,9)
InChIKeyDOVQBBXYBSHKJP-UHFFFAOYSA-N
MW154.24 g/mol
LogP2.15
Rot. Bonds2

About 4-but-1-enyl-1,3-thiazol-2-amine

4-but-1-enyl-1,3-thiazol-2-amine (PubChem CID 54445846) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 4-but-1-enyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-but-1-enyl-1,3-thiazol-2-amine
PubChem CID54445846
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name4-but-1-enyl-1,3-thiazol-2-amine
SMILESCCC=Cc1csc(N)n1
InChIInChI=1S/C7H10N2S/c1-2-3-4-6-5-10-7(8)9-6/h3-5H,2H2,1H3,(H2,8,9)
InChIKeyDOVQBBXYBSHKJP-UHFFFAOYSA-N
XLogP2.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-but-1-enyl-1,3-thiazol-2-amine?
The IUPAC name of 4-but-1-enyl-1,3-thiazol-2-amine (CID 54445846) is 4-but-1-enyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-but-1-enyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-but-1-enyl-1,3-thiazol-2-amine is CCC=Cc1csc(N)n1.
What is the InChIKey of 4-but-1-enyl-1,3-thiazol-2-amine?
The InChIKey is DOVQBBXYBSHKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-2-3-4-6-5-10-7(8)9-6/h3-5H,2H2,1H3,(H2,8,9).
What are the key properties of 4-but-1-enyl-1,3-thiazol-2-amine?
4-but-1-enyl-1,3-thiazol-2-amine has a molecular weight of 154.24 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-1-enyl-1,3-thiazol-2-amine is sourced from PubChem (CID 54445846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).