5-[(Z)-1-amino-3-methylbut-1-en-2-yl]-1,3-thiazol-4-amine

C8H13N3S — CID 170755707

IUPAC5-[(Z)-1-amino-3-methylbut-1-en-2-yl]-1,3-thiazol-4-amine
SMILESCC(C)/C(=C/N)c1scnc1N
InChIInChI=1S/C8H13N3S/c1-5(2)6(3-9)7-8(10)11-4-12-7/h3-5H,9-10H2,1-2H3/b6-3-
InChIKeyJSLLFUQQBZENEZ-UTCJRWHESA-N
MW183.28 g/mol
LogP1.68
Rot. Bonds2

About 5-[(Z)-1-amino-3-methylbut-1-en-2-yl]-1,3-thiazol-4-amine

5-[(Z)-1-amino-3-methylbut-1-en-2-yl]-1,3-thiazol-4-amine (PubChem CID 170755707) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 5-[(Z)-1-amino-3-methylbut-1-en-2-yl]-1,3-thiazol-4-amine.

Molecular Properties

Compound Name5-[(Z)-1-amino-3-methylbut-1-en-2-yl]-1,3-thiazol-4-amine
PubChem CID170755707
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name5-[(Z)-1-amino-3-methylbut-1-en-2-yl]-1,3-thiazol-4-amine
SMILESCC(C)/C(=C/N)c1scnc1N
InChIInChI=1S/C8H13N3S/c1-5(2)6(3-9)7-8(10)11-4-12-7/h3-5H,9-10H2,1-2H3/b6-3-
InChIKeyJSLLFUQQBZENEZ-UTCJRWHESA-N
XLogP1.68
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-1-amino-3-methylbut-1-en-2-yl]-1,3-thiazol-4-amine?
The IUPAC name of 5-[(Z)-1-amino-3-methylbut-1-en-2-yl]-1,3-thiazol-4-amine (CID 170755707) is 5-[(Z)-1-amino-3-methylbut-1-en-2-yl]-1,3-thiazol-4-amine.
What is the SMILES notation for 5-[(Z)-1-amino-3-methylbut-1-en-2-yl]-1,3-thiazol-4-amine?
The canonical SMILES for 5-[(Z)-1-amino-3-methylbut-1-en-2-yl]-1,3-thiazol-4-amine is CC(C)/C(=C/N)c1scnc1N.
What is the InChIKey of 5-[(Z)-1-amino-3-methylbut-1-en-2-yl]-1,3-thiazol-4-amine?
The InChIKey is JSLLFUQQBZENEZ-UTCJRWHESA-N. The full InChI is InChI=1S/C8H13N3S/c1-5(2)6(3-9)7-8(10)11-4-12-7/h3-5H,9-10H2,1-2H3/b6-3-.
What are the key properties of 5-[(Z)-1-amino-3-methylbut-1-en-2-yl]-1,3-thiazol-4-amine?
5-[(Z)-1-amino-3-methylbut-1-en-2-yl]-1,3-thiazol-4-amine has a molecular weight of 183.28 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-1-amino-3-methylbut-1-en-2-yl]-1,3-thiazol-4-amine is sourced from PubChem (CID 170755707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).