4-imidazo[1,2-a]pyrimidin-3-yl-N-prop-2-enyl-1,3-thiazol-2-amine

C12H11N5S — CID 177381121

IUPAC4-imidazo[1,2-a]pyrimidin-3-yl-N-prop-2-enyl-1,3-thiazol-2-amine
SMILESC=CCNc1nc(-c2cnc3ncccn23)cs1
InChIInChI=1S/C12H11N5S/c1-2-4-14-12-16-9(8-18-12)10-7-15-11-13-5-3-6-17(10)11/h2-3,5-8H,1,4H2,(H,14,16)
InChIKeyWZTMJSDZDOBEKC-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.45
Rot. Bonds4

About 4-imidazo[1,2-a]pyrimidin-3-yl-N-prop-2-enyl-1,3-thiazol-2-amine

4-imidazo[1,2-a]pyrimidin-3-yl-N-prop-2-enyl-1,3-thiazol-2-amine (PubChem CID 177381121) has the molecular formula C12H11N5S and a molecular weight of 257.32 g/mol. Its IUPAC name is 4-imidazo[1,2-a]pyrimidin-3-yl-N-prop-2-enyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-imidazo[1,2-a]pyrimidin-3-yl-N-prop-2-enyl-1,3-thiazol-2-amine
PubChem CID177381121
Molecular FormulaC12H11N5S
Molecular Weight257.32 g/mol
Exact Mass257.07
IUPAC Name4-imidazo[1,2-a]pyrimidin-3-yl-N-prop-2-enyl-1,3-thiazol-2-amine
SMILESC=CCNc1nc(-c2cnc3ncccn23)cs1
InChIInChI=1S/C12H11N5S/c1-2-4-14-12-16-9(8-18-12)10-7-15-11-13-5-3-6-17(10)11/h2-3,5-8H,1,4H2,(H,14,16)
InChIKeyWZTMJSDZDOBEKC-UHFFFAOYSA-N
XLogP2.45
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-imidazo[1,2-a]pyrimidin-3-yl-N-prop-2-enyl-1,3-thiazol-2-amine?
The IUPAC name of 4-imidazo[1,2-a]pyrimidin-3-yl-N-prop-2-enyl-1,3-thiazol-2-amine (CID 177381121) is 4-imidazo[1,2-a]pyrimidin-3-yl-N-prop-2-enyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-imidazo[1,2-a]pyrimidin-3-yl-N-prop-2-enyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-imidazo[1,2-a]pyrimidin-3-yl-N-prop-2-enyl-1,3-thiazol-2-amine is C=CCNc1nc(-c2cnc3ncccn23)cs1.
What is the InChIKey of 4-imidazo[1,2-a]pyrimidin-3-yl-N-prop-2-enyl-1,3-thiazol-2-amine?
The InChIKey is WZTMJSDZDOBEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5S/c1-2-4-14-12-16-9(8-18-12)10-7-15-11-13-5-3-6-17(10)11/h2-3,5-8H,1,4H2,(H,14,16).
What are the key properties of 4-imidazo[1,2-a]pyrimidin-3-yl-N-prop-2-enyl-1,3-thiazol-2-amine?
4-imidazo[1,2-a]pyrimidin-3-yl-N-prop-2-enyl-1,3-thiazol-2-amine has a molecular weight of 257.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazo[1,2-a]pyrimidin-3-yl-N-prop-2-enyl-1,3-thiazol-2-amine is sourced from PubChem (CID 177381121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).