5-[(prop-2-enylamino)methyl]-1,3-thiazol-2-amine

C7H11N3S — CID 131206977

IUPAC5-[(prop-2-enylamino)methyl]-1,3-thiazol-2-amine
SMILESC=CCNCc1cnc(N)s1
InChIInChI=1S/C7H11N3S/c1-2-3-9-4-6-5-10-7(8)11-6/h2,5,9H,1,3-4H2,(H2,8,10)
InChIKeyXVMPTYZEJLPPHK-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.00
Rot. Bonds4

About 5-[(prop-2-enylamino)methyl]-1,3-thiazol-2-amine

5-[(prop-2-enylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 131206977) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 5-[(prop-2-enylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(prop-2-enylamino)methyl]-1,3-thiazol-2-amine
PubChem CID131206977
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name5-[(prop-2-enylamino)methyl]-1,3-thiazol-2-amine
SMILESC=CCNCc1cnc(N)s1
InChIInChI=1S/C7H11N3S/c1-2-3-9-4-6-5-10-7(8)11-6/h2,5,9H,1,3-4H2,(H2,8,10)
InChIKeyXVMPTYZEJLPPHK-UHFFFAOYSA-N
XLogP1.00
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(prop-2-enylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(prop-2-enylamino)methyl]-1,3-thiazol-2-amine (CID 131206977) is 5-[(prop-2-enylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(prop-2-enylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(prop-2-enylamino)methyl]-1,3-thiazol-2-amine is C=CCNCc1cnc(N)s1.
What is the InChIKey of 5-[(prop-2-enylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is XVMPTYZEJLPPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-2-3-9-4-6-5-10-7(8)11-6/h2,5,9H,1,3-4H2,(H2,8,10).
What are the key properties of 5-[(prop-2-enylamino)methyl]-1,3-thiazol-2-amine?
5-[(prop-2-enylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 169.25 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(prop-2-enylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 131206977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).