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

C13H13N5S — CID 2901928

IUPAC4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
SMILESC=CCNc1nc(-c2c(C)nc3ncccn23)cs1
InChIInChI=1S/C13H13N5S/c1-3-5-15-13-17-10(8-19-13)11-9(2)16-12-14-6-4-7-18(11)12/h3-4,6-8H,1,5H2,2H3,(H,15,17)
InChIKeyKNECZGISGIKJMY-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.76
Rot. Bonds4

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

4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine (PubChem CID 2901928) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is 4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
PubChem CID2901928
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC Name4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
SMILESC=CCNc1nc(-c2c(C)nc3ncccn23)cs1
InChIInChI=1S/C13H13N5S/c1-3-5-15-13-17-10(8-19-13)11-9(2)16-12-14-6-4-7-18(11)12/h3-4,6-8H,1,5H2,2H3,(H,15,17)
InChIKeyKNECZGISGIKJMY-UHFFFAOYSA-N
XLogP2.76
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 2877714
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CID 2898055
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CID 25093427
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CID 6539203
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CID 700162
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CID 973047
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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine (CID 2901928) is 4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine is C=CCNc1nc(-c2c(C)nc3ncccn23)cs1.
What is the InChIKey of 4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine?
The InChIKey is KNECZGISGIKJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c1-3-5-15-13-17-10(8-19-13)11-9(2)16-12-14-6-4-7-18(11)12/h3-4,6-8H,1,5H2,2H3,(H,15,17).
What are the key properties of 4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine?
4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine has a molecular weight of 271.35 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine is sourced from PubChem (CID 2901928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).